3-octadec-9-enylimino-N-propylpropan-1-amine

C24H48N2 — CID 173366405

IUPAC3-octadec-9-enylimino-N-propylpropan-1-amine
SMILESCCCCCCCCC=CCCCCCCCC/N=C/CCNCCC
InChIInChI=1S/C24H48N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-24-20-23-25-21-4-2/h11-12,24-25H,3-10,13-23H2,1-2H3/b12-11?,26-24+
InChIKeyKCIBOVFETNWTGI-KSCJZIHKSA-N
MW364.66 g/mol
LogP7.48
Rot. Bonds21

About 3-octadec-9-enylimino-N-propylpropan-1-amine

3-octadec-9-enylimino-N-propylpropan-1-amine (PubChem CID 173366405) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 3-octadec-9-enylimino-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-octadec-9-enylimino-N-propylpropan-1-amine
PubChem CID173366405
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name3-octadec-9-enylimino-N-propylpropan-1-amine
SMILESCCCCCCCCC=CCCCCCCCC/N=C/CCNCCC
InChIInChI=1S/C24H48N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-24-20-23-25-21-4-2/h11-12,24-25H,3-10,13-23H2,1-2H3/b12-11?,26-24+
InChIKeyKCIBOVFETNWTGI-KSCJZIHKSA-N
XLogP7.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 57.48
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-octadec-9-enylimino-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-propyltridec-4-en-1-amine
CID 174276526
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
N,N'-didecylpentane-1,5-diimine
CID 118371796
(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
CID 57277505
(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine
CID 129018541
(E)-hexacos-10-ene
CID 22172169

Frequently Asked Questions

What is the IUPAC name of 3-octadec-9-enylimino-N-propylpropan-1-amine?
The IUPAC name of 3-octadec-9-enylimino-N-propylpropan-1-amine (CID 173366405) is 3-octadec-9-enylimino-N-propylpropan-1-amine.
What is the SMILES notation for 3-octadec-9-enylimino-N-propylpropan-1-amine?
The canonical SMILES for 3-octadec-9-enylimino-N-propylpropan-1-amine is CCCCCCCCC=CCCCCCCCC/N=C/CCNCCC.
What is the InChIKey of 3-octadec-9-enylimino-N-propylpropan-1-amine?
The InChIKey is KCIBOVFETNWTGI-KSCJZIHKSA-N. The full InChI is InChI=1S/C24H48N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-24-20-23-25-21-4-2/h11-12,24-25H,3-10,13-23H2,1-2H3/b12-11?,26-24+.
What are the key properties of 3-octadec-9-enylimino-N-propylpropan-1-amine?
3-octadec-9-enylimino-N-propylpropan-1-amine has a molecular weight of 364.66 g/mol, XLogP of 7.48, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octadec-9-enylimino-N-propylpropan-1-amine is sourced from PubChem (CID 173366405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).