N4-(3-azanylhenicosan-4-yl)henicosane-3,4-diamine

Systemtic Name: N4-(3-azanylhenicosan-4-yl)henicosane-3,4-diamine Openeye Name: N4-[1-(1-aminopropyl)octadecyl]henicosane-3,4-diamine CAS Name: N4-(3-aminoheneicosan-4-yl)heneicosane-3,4-diamine IUPAC Name: 4-N-(3-aminohenicosan-4-yl)henicosane-3,4-diamine Traditional Name: bis[1-(1-aminopropyl)octadecyl]amine Formula: C42H89N3 MolecularWeight: 636.17616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C(CC)N)NC(CCCCCCCCCCCCCCCCC)C(CC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C(CC)N)NC(CCCCCCCCCCCCCCCCC)C(CC)N

InChI

InChI=1S/C42H89N3/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(39(43)7-3)45-42(40(44)8-4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h39-42,45H,5-38,43-44H2,1-4H3