deca-4,7-dien-1-imine

C10H17N — CID 123827907

IUPACdeca-4,7-dien-1-imine
SMILES[H]/N=C/CCC=CCC=CCC
InChIInChI=1S/C10H17N/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-7,10-11H,2,5,8-9H2,1H3/b4-3?,7-6?,11-10+
InChIKeyBEJSLDYJXVHTOQ-BNMYECSKSA-N
MW151.25 g/mol
LogP3.33
Rot. Bonds6

About deca-4,7-dien-1-imine

deca-4,7-dien-1-imine (PubChem CID 123827907) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is deca-4,7-dien-1-imine.

Molecular Properties

Compound Namedeca-4,7-dien-1-imine
PubChem CID123827907
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Namedeca-4,7-dien-1-imine
SMILES[H]/N=C/CCC=CCC=CCC
InChIInChI=1S/C10H17N/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-7,10-11H,2,5,8-9H2,1H3/b4-3?,7-6?,11-10+
InChIKeyBEJSLDYJXVHTOQ-BNMYECSKSA-N
XLogP3.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 deca-4,7-dien-1-imine 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

pentadeca-3,6,9,12-tetraene
CID 123748490
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
docosa-4,8,12,15,19-pentaenal
CID 54481142
6-methylhepta-4,6-dien-1-imine
CID 123768146
(3Z,6Z)-1-bromonona-3,6-diene
CID 14077874
heptadeca-3,6,12-triene
CID 54220025
propane;propane-1,3-diimine
CID 142057441
(4E,8E,12E,15E,19E)-docosa-4,8,12,15,19-pentaenoic acid
CID 5282849
(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
CID 131751278
(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal
CID 10081647
henicosa-3,6-diene
CID 72727393

Frequently Asked Questions

What is the IUPAC name of deca-4,7-dien-1-imine?
The IUPAC name of deca-4,7-dien-1-imine (CID 123827907) is deca-4,7-dien-1-imine.
What is the SMILES notation for deca-4,7-dien-1-imine?
The canonical SMILES for deca-4,7-dien-1-imine is [H]/N=C/CCC=CCC=CCC.
What is the InChIKey of deca-4,7-dien-1-imine?
The InChIKey is BEJSLDYJXVHTOQ-BNMYECSKSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-7,10-11H,2,5,8-9H2,1H3/b4-3?,7-6?,11-10+.
What are the key properties of deca-4,7-dien-1-imine?
deca-4,7-dien-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-4,7-dien-1-imine is sourced from PubChem (CID 123827907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).