N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine

C24H51N3 — CID 57277505

IUPACN'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
SMILESCCCCCCCCCCCCCCCCC/C=N/CCCNCCCN
InChIInChI=1S/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-19-24-27-22-18-20-25/h21,27H,2-20,22-25H2,1H3/b26-21+
InChIKeyVVXVGQJESPGEOS-YYADALCUSA-N
MW381.69 g/mol
LogP6.65
Rot. Bonds23

About N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine

N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine (PubChem CID 57277505) has the molecular formula C24H51N3 and a molecular weight of 381.69 g/mol. Its IUPAC name is N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
PubChem CID57277505
Molecular FormulaC24H51N3
Molecular Weight381.69 g/mol
Exact Mass381.41
IUPAC NameN'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
SMILESCCCCCCCCCCCCCCCCC/C=N/CCCNCCCN
InChIInChI=1S/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-19-24-27-22-18-20-25/h21,27H,2-20,22-25H2,1H3/b26-21+
InChIKeyVVXVGQJESPGEOS-YYADALCUSA-N
XLogP6.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.69
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
N'-[(E)-octadec-9-enyl]propane-1,3-diamine
CID 6365166
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N,N'-didecylpentane-1,5-diimine
CID 118371796
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
3-octadec-9-enylimino-N-propylpropan-1-amine
CID 173366405
5-(butylideneamino)pentan-1-amine
CID 58308982
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296

Frequently Asked Questions

What is the IUPAC name of N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine (CID 57277505) is N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine is CCCCCCCCCCCCCCCCC/C=N/CCCNCCCN.
What is the InChIKey of N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine?
The InChIKey is VVXVGQJESPGEOS-YYADALCUSA-N. The full InChI is InChI=1S/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-19-24-27-22-18-20-25/h21,27H,2-20,22-25H2,1H3/b26-21+.
What are the key properties of N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine?
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine has a molecular weight of 381.69 g/mol, XLogP of 6.65, 23 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 57277505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).