N-[(Z)-hexadecylideneamino]hexadecan-1-amine

C32H66N2 — CID 91745707

IUPACN-[(Z)-hexadecylideneamino]hexadecan-1-amine
SMILESCCCCCCCCCCCCCCC/C=N\NCCCCCCCCCCCCCCCC
InChIInChI=1S/C32H66N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34H,3-30,32H2,1-2H3/b33-31-
InChIKeyZUKDIBYGJBUOOX-FPODKLOTSA-N
MW478.89 g/mol
LogP11.52
Rot. Bonds30

About N-[(Z)-hexadecylideneamino]hexadecan-1-amine

N-[(Z)-hexadecylideneamino]hexadecan-1-amine (PubChem CID 91745707) has the molecular formula C32H66N2 and a molecular weight of 478.89 g/mol. Its IUPAC name is N-[(Z)-hexadecylideneamino]hexadecan-1-amine.

Molecular Properties

Compound NameN-[(Z)-hexadecylideneamino]hexadecan-1-amine
PubChem CID91745707
Molecular FormulaC32H66N2
Molecular Weight478.89 g/mol
Exact Mass478.52
IUPAC NameN-[(Z)-hexadecylideneamino]hexadecan-1-amine
SMILESCCCCCCCCCCCCCCC/C=N\NCCCCCCCCCCCCCCCC
InChIInChI=1S/C32H66N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34H,3-30,32H2,1-2H3/b33-31-
InChIKeyZUKDIBYGJBUOOX-FPODKLOTSA-N
XLogP11.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.89
LogP ≤ 511.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(propylideneamino)octadec-9-en-1-amine
CID 173363504
N-(dodecylideneamino)hydroxylamine
CID 91556209
3-[(2E)-2-hexylidenehydrazinyl]propanenitrile;3-hydrazinylpropanenitrile
CID 172935466
N-[(Z)-butylideneamino]propan-1-amine
CID 5369173
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N-methyloctadecan-1-imine
CID 54409483
N-(nonylideneamino)decanamide
CID 5084396
N-(nonylideneamino)octanamide
CID 4295690
(NE)-N-octylidenehydroxylamine
CID 5385260
N-thionitrosohexan-1-amine
CID 88687267
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hexadecylideneamino]hexadecan-1-amine?
The IUPAC name of N-[(Z)-hexadecylideneamino]hexadecan-1-amine (CID 91745707) is N-[(Z)-hexadecylideneamino]hexadecan-1-amine.
What is the SMILES notation for N-[(Z)-hexadecylideneamino]hexadecan-1-amine?
The canonical SMILES for N-[(Z)-hexadecylideneamino]hexadecan-1-amine is CCCCCCCCCCCCCCC/C=N\NCCCCCCCCCCCCCCCC.
What is the InChIKey of N-[(Z)-hexadecylideneamino]hexadecan-1-amine?
The InChIKey is ZUKDIBYGJBUOOX-FPODKLOTSA-N. The full InChI is InChI=1S/C32H66N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,34H,3-30,32H2,1-2H3/b33-31-.
What are the key properties of N-[(Z)-hexadecylideneamino]hexadecan-1-amine?
N-[(Z)-hexadecylideneamino]hexadecan-1-amine has a molecular weight of 478.89 g/mol, XLogP of 11.52, 30 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hexadecylideneamino]hexadecan-1-amine is sourced from PubChem (CID 91745707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).