1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine

C25H39N — CID 142968016

IUPAC1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine
SMILESC=C=C(CCC1=CCCC=C1/C(=N/C)C(CCC)CCC)C1CCCC1
InChIInChI=1S/C25H39N/c1-5-12-23(13-6-2)25(26-4)24-17-11-10-16-22(24)19-18-20(7-3)21-14-8-9-15-21/h16-17,21,23H,3,5-6,8-15,18-19H2,1-2,4H3/b26-25+
InChIKeyMOHUMVDEBVUQNM-OCEACIFDSA-N
MW353.59 g/mol
LogP7.60
Rot. Bonds10

About 1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine

1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine (PubChem CID 142968016) has the molecular formula C25H39N and a molecular weight of 353.59 g/mol. Its IUPAC name is 1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine.

Molecular Properties

Compound Name1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine
PubChem CID142968016
Molecular FormulaC25H39N
Molecular Weight353.59 g/mol
Exact Mass353.31
IUPAC Name1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine
SMILESC=C=C(CCC1=CCCC=C1/C(=N/C)C(CCC)CCC)C1CCCC1
InChIInChI=1S/C25H39N/c1-5-12-23(13-6-2)25(26-4)24-17-11-10-16-22(24)19-18-20(7-3)21-14-8-9-15-21/h16-17,21,23H,3,5-6,8-15,18-19H2,1-2,4H3/b26-25+
InChIKeyMOHUMVDEBVUQNM-OCEACIFDSA-N
XLogP7.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine
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(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
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N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
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CID 58631427
CID 58631427
3-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N-dimethyl-6-[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88673397
(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine
CID 88874929
4,7-di(propan-2-yl)-2H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine?
The IUPAC name of 1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine (CID 142968016) is 1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine.
What is the SMILES notation for 1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine?
The canonical SMILES for 1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine is C=C=C(CCC1=CCCC=C1/C(=N/C)C(CCC)CCC)C1CCCC1.
What is the InChIKey of 1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine?
The InChIKey is MOHUMVDEBVUQNM-OCEACIFDSA-N. The full InChI is InChI=1S/C25H39N/c1-5-12-23(13-6-2)25(26-4)24-17-11-10-16-22(24)19-18-20(7-3)21-14-8-9-15-21/h16-17,21,23H,3,5-6,8-15,18-19H2,1-2,4H3/b26-25+.
What are the key properties of 1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine?
1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine has a molecular weight of 353.59 g/mol, XLogP of 7.60, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine is sourced from PubChem (CID 142968016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).