8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine

C15H31N3 — CID 159260597

IUPAC8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine
SMILES[H]/N=C(\C)CCCNC(=C)CCCCCCCNC
InChIInChI=1S/C15H31N3/c1-14(16)10-9-13-18-15(2)11-7-5-4-6-8-12-17-3/h16-18H,2,4-13H2,1,3H3/b16-14+
InChIKeyKWLNWFPGJKZTDC-JQIJEIRASA-N
MW253.43 g/mol
LogP3.47
Rot. Bonds13

About 8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine

8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine (PubChem CID 159260597) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine.

Molecular Properties

Compound Name8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine
PubChem CID159260597
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine
SMILES[H]/N=C(\C)CCCNC(=C)CCCCCCCNC
InChIInChI=1S/C15H31N3/c1-14(16)10-9-13-18-15(2)11-7-5-4-6-8-12-17-3/h16-18H,2,4-13H2,1,3H3/b16-14+
InChIKeyKWLNWFPGJKZTDC-JQIJEIRASA-N
XLogP3.47
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine 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

2-(Undec-1-en-2-ylamino)acetonitrile
CID 88730830
5-(1H-azirin-2-yl)pentan-2-imine
CID 88941573
2-Methylidene-azacyclotridecane
CID 118553254
N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine
CID 123206074
N-butyldec-1-en-2-amine
CID 130272398
N-butyloct-1-en-2-amine
CID 130411915
2-N-butyloct-1-ene-2,5-diamine
CID 132099735
N-pent-1-en-2-yloctan-1-amine
CID 132110982
N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine
CID 134217052
N'-pent-1-en-2-ylhexane-1,6-diamine
CID 134334582
N'-but-1-en-2-ylheptane-1,7-diamine
CID 134334701
N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine
CID 134334707

Frequently Asked Questions

What is the IUPAC name of 8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine?
The IUPAC name of 8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine (CID 159260597) is 8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine.
What is the SMILES notation for 8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine?
The canonical SMILES for 8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine is [H]/N=C(\C)CCCNC(=C)CCCCCCCNC.
What is the InChIKey of 8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine?
The InChIKey is KWLNWFPGJKZTDC-JQIJEIRASA-N. The full InChI is InChI=1S/C15H31N3/c1-14(16)10-9-13-18-15(2)11-7-5-4-6-8-12-17-3/h16-18H,2,4-13H2,1,3H3/b16-14+.
What are the key properties of 8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine?
8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine has a molecular weight of 253.43 g/mol, XLogP of 3.47, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(4-iminopentyl)-1-N-methylnon-8-ene-1,8-diamine is sourced from PubChem (CID 159260597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).