(6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine

C32H59N — CID 123750431

IUPAC(6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine
SMILESCCCCC=CCC/C(CC)=C(\C(=C(C)CCC)/C(=N/C)C(CC)CC)C(C)C(C)CCC
InChIInChI=1S/C32H59N/c1-11-17-18-19-20-21-24-29(16-6)31(27(9)25(7)22-12-2)30(26(8)23-13-3)32(33-10)28(14-4)15-5/h19-20,25,27-28H,11-18,21-24H2,1-10H3/b20-19?,30-26?,31-29-,33-32+
InChIKeyYLGARPKIWAMQST-DYKJTIFNSA-N
MW457.83 g/mol
LogP10.92
Rot. Bonds18

About (6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine

(6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine (PubChem CID 123750431) has the molecular formula C32H59N and a molecular weight of 457.83 g/mol. Its IUPAC name is (6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine.

Molecular Properties

Compound Name(6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine
PubChem CID123750431
Molecular FormulaC32H59N
Molecular Weight457.83 g/mol
Exact Mass457.46
IUPAC Name(6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine
SMILESCCCCC=CCC/C(CC)=C(\C(=C(C)CCC)/C(=N/C)C(CC)CC)C(C)C(C)CCC
InChIInChI=1S/C32H59N/c1-11-17-18-19-20-21-24-29(16-6)31(27(9)25(7)22-12-2)30(26(8)23-13-3)32(33-10)28(14-4)15-5/h19-20,25,27-28H,11-18,21-24H2,1-10H3/b20-19?,30-26?,31-29-,33-32+
InChIKeyYLGARPKIWAMQST-DYKJTIFNSA-N
XLogP10.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.83
LogP ≤ 510.92
H-Bond Donors ≤ 50
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-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

(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
(6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine
CID 166651414
(3E,10Z)-8-ethyl-14-fluoro-5,10-dimethyl-3-[(3Z)-2-methylhepta-1,3,6-trien-3-yl]-7-methylidene-N-prop-2-enyl-8-propyltetradeca-3,10-dien-2-imine
CID 167265238
(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
CID 170260209
(E)-3-butan-2-yl-N-[(1E)-1-fluorobuta-1,3-dienyl]-4,9-dimethyldec-3-en-2-imine
CID 173651074
(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine
CID 143491167
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
7-butyl-N-methyl-8-propyl-4,4a,4b,5,6,7,8,8a-octahydro-3H-phenanthren-2-imine
CID 70992306
6-Cyclohexa-2,4-dien-1-yl-3-[5-[10-(2,3-dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine
CID 88488295
6-Cyclohexa-2,4-dien-1-yl-3-[5-[10-(5-methyl-2,3-dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine
CID 88488298
6-Cyclohexa-2,4-dien-1-yl-3-[5-[10-(5-ethyl-2,3-dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine
CID 88488311

Frequently Asked Questions

What is the IUPAC name of (6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine?
The IUPAC name of (6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine (CID 123750431) is (6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine.
What is the SMILES notation for (6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine?
The canonical SMILES for (6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine is CCCCC=CCC/C(CC)=C(\C(=C(C)CCC)/C(=N/C)C(CC)CC)C(C)C(C)CCC.
What is the InChIKey of (6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine?
The InChIKey is YLGARPKIWAMQST-DYKJTIFNSA-N. The full InChI is InChI=1S/C32H59N/c1-11-17-18-19-20-21-24-29(16-6)31(27(9)25(7)22-12-2)30(26(8)23-13-3)32(33-10)28(14-4)15-5/h19-20,25,27-28H,11-18,21-24H2,1-10H3/b20-19?,30-26?,31-29-,33-32+.
What are the key properties of (6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine?
(6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine has a molecular weight of 457.83 g/mol, XLogP of 10.92, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3,7-diethyl-N-methyl-6-(3-methylhexan-2-yl)-5-pentan-2-ylidenepentadeca-6,10-dien-4-imine is sourced from PubChem (CID 123750431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).