N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine

C25H35N — CID 71235732

IUPACN-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine
SMILESCC1CCC(C2=CCCC(C3CCC=CC3NC3=CCCC=C3)=C2)CC1
InChIInChI=1S/C25H35N/c1-19-14-16-20(17-15-19)21-8-7-9-22(18-21)24-12-5-6-13-25(24)26-23-10-3-2-4-11-23/h3,6,8,10-11,13,18-20,24-26H,2,4-5,7,9,12,14-17H2,1H3
InChIKeyICRCIXOAEAVAOB-UHFFFAOYSA-N
MW349.56 g/mol
LogP6.62
Rot. Bonds4

About N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine

N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine (PubChem CID 71235732) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine
PubChem CID71235732
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC NameN-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine
SMILESCC1CCC(C2=CCCC(C3CCC=CC3NC3=CCCC=C3)=C2)CC1
InChIInChI=1S/C25H35N/c1-19-14-16-20(17-15-19)21-8-7-9-22(18-21)24-12-5-6-13-25(24)26-23-10-3-2-4-11-23/h3,6,8,10-11,13,18-20,24-26H,2,4-5,7,9,12,14-17H2,1H3
InChIKeyICRCIXOAEAVAOB-UHFFFAOYSA-N
XLogP6.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine with MolForge

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Related Compounds

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CID 88997990
3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine
CID 135128083
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N-[(3Z)-6-ethyl-4-[(E)-4-fluoro-4-methylpent-2-en-3-yl]octa-1,3-dien-2-yl]cyclohexanamine
CID 156099488
N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)amino]-6-fluorocyclohex-2-en-1-yl]-3-fluorocyclohexa-2,4-dien-1-amine
CID 166648067
(E)-N-[4-tert-butyl-6-(6-fluorocyclohexa-2,4-dien-1-yl)cyclohexa-1,5-dien-1-yl]-N'-(5,8-dimethyl-1,2,5,6,7,8-hexahydronaphthalen-2-yl)prop-1-ene-1,3-diamine
CID 167385561
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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine (CID 71235732) is N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine is CC1CCC(C2=CCCC(C3CCC=CC3NC3=CCCC=C3)=C2)CC1.
What is the InChIKey of N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine?
The InChIKey is ICRCIXOAEAVAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N/c1-19-14-16-20(17-15-19)21-8-7-9-22(18-21)24-12-5-6-13-25(24)26-23-10-3-2-4-11-23/h3,6,8,10-11,13,18-20,24-26H,2,4-5,7,9,12,14-17H2,1H3.
What are the key properties of N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine?
N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine has a molecular weight of 349.56 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 71235732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).