N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine

C22H35N — CID 123400833

IUPACN-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine
SMILESCCC=C=CC(N=C1CCC(CCC(C)C)CC1)=C1CCCC1
InChIInChI=1S/C22H35N/c1-4-5-6-11-22(20-9-7-8-10-20)23-21-16-14-19(15-17-21)13-12-18(2)3/h5,11,18-19H,4,7-10,12-17H2,1-3H3/b23-21-
InChIKeyVWSFZCRVYMQIAH-LNVKXUELSA-N
MW313.53 g/mol
LogP7.00
Rot. Bonds6

About N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine

N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine (PubChem CID 123400833) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine.

Molecular Properties

Compound NameN-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine
PubChem CID123400833
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC NameN-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine
SMILESCCC=C=CC(N=C1CCC(CCC(C)C)CC1)=C1CCCC1
InChIInChI=1S/C22H35N/c1-4-5-6-11-22(20-9-7-8-10-20)23-21-16-14-19(15-17-21)13-12-18(2)3/h5,11,18-19H,4,7-10,12-17H2,1-3H3/b23-21-
InChIKeyVWSFZCRVYMQIAH-LNVKXUELSA-N
XLogP7.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 57.00
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

N-[(4E)-6-cyclohexyl-5-ethenyl-2-methylhepta-2,4,6-trien-3-yl]-5,5-difluorohexan-2-imine
CID 178044043
2-Methylidene-4-pentyl-4,5,6,7-tetrahydroindole
CID 70432920
3-ethyl-11-methyl-2-[(1Z)-3-methylpenta-1,3-dienyl]-4,5,6,7,8,10,11,12-octahydro-1-benzazecine
CID 90738048
4-cyclopentyl-3-methyl-N-[(2E)-3-methylocta-2,4,7-trien-4-yl]butan-2-imine
CID 123388806
(Z)-N-[(4E)-4-ethenyl-5-ethyl-2,6-dimethylhepta-2,4-dien-3-yl]-2-methylnon-7-en-4-imine
CID 132094818
2-[(1Z)-buta-1,3-dienyl]-3-methyl-4,5,6,7-tetrahydro-3aH-indole
CID 166963841
3-methyl-2-[(Z)-prop-1-enyl]-4,5,6,7-tetrahydro-3aH-indole
CID 166963856
1-(4-ethenylcyclohexyl)-N-[(2Z,4E)-4-methylhexa-2,4-dien-2-yl]ethanimine
CID 167102497
N-[5-[(3Z)-4,6-dimethylhepta-1,3,5-trien-2-yl]-4-(3-methylbutan-2-yl)-2-prop-1-en-2-ylcyclohexen-1-yl]-3-methylheptan-2-imine
CID 167292327
(Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine
CID 174346137
1-[6-(3-cyclopentylpenta-3,4-dienyl)cyclohexa-1,5-dien-1-yl]-N-methyl-2-propylpentan-1-imine
CID 142968016
(3E,7E)-4-tert-butyl-2-(4,4-dimethylcyclohexyl)-9-methylidene-7-prop-1-en-2-yl-5,6-dihydroazonine
CID 145160524

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine?
The IUPAC name of N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine (CID 123400833) is N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine.
What is the SMILES notation for N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine?
The canonical SMILES for N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine is CCC=C=CC(N=C1CCC(CCC(C)C)CC1)=C1CCCC1.
What is the InChIKey of N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine?
The InChIKey is VWSFZCRVYMQIAH-LNVKXUELSA-N. The full InChI is InChI=1S/C22H35N/c1-4-5-6-11-22(20-9-7-8-10-20)23-21-16-14-19(15-17-21)13-12-18(2)3/h5,11,18-19H,4,7-10,12-17H2,1-3H3/b23-21-.
What are the key properties of N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine?
N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine has a molecular weight of 313.53 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylidenehexa-2,3-dienyl)-4-(3-methylbutyl)cyclohexan-1-imine is sourced from PubChem (CID 123400833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).