6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine

C26H41N — CID 91081611

IUPAC6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine
SMILESC=C(CC1CC(C)C=CC1N)C(C)CC1=CCC(CC2CCCCC2)C=C1
InChIInChI=1S/C26H41N/c1-19-9-14-26(27)25(15-19)17-21(3)20(2)16-23-10-12-24(13-11-23)18-22-7-5-4-6-8-22/h9-12,14,19-20,22,24-26H,3-8,13,15-18,27H2,1-2H3
InChIKeyOXBQZAUOGJZNEG-UHFFFAOYSA-N
MW367.62 g/mol
LogP6.97
Rot. Bonds7

About 6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine

6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine (PubChem CID 91081611) has the molecular formula C26H41N and a molecular weight of 367.62 g/mol. Its IUPAC name is 6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine
PubChem CID91081611
Molecular FormulaC26H41N
Molecular Weight367.62 g/mol
Exact Mass367.32
IUPAC Name6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine
SMILESC=C(CC1CC(C)C=CC1N)C(C)CC1=CCC(CC2CCCCC2)C=C1
InChIInChI=1S/C26H41N/c1-19-9-14-26(27)25(15-19)17-21(3)20(2)16-23-10-12-24(13-11-23)18-22-7-5-4-6-8-22/h9-12,14,19-20,22,24-26H,3-8,13,15-18,27H2,1-2H3
InChIKeyOXBQZAUOGJZNEG-UHFFFAOYSA-N
XLogP6.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-(4-fluoro-6-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-yl)ethanamine
CID 68274572
(4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine
CID 89090365
1-Fluoro-3-[4-[2-(4-methylcycloheptyl)ethyl]cyclohexa-1,5-dien-1-yl]butan-2-amine
CID 134316538
1-(2-Fluoro-5,6-dimethylcyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142905008
1-[4-(2-Fluoro-5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-methylideneheptan-2-amine
CID 144382024
4-[4-[(3Z,6E)-3-[(Z)-1,2-difluoroethenyl]octa-3,6-dienyl]cyclohexyl]cyclohexan-1-amine
CID 144405277
4-[(3Z,6E)-3-[(Z)-1,2-difluoroethenyl]octa-3,6-dienyl]cyclohexan-1-amine
CID 144405278
(10Z,13E)-10-[(Z)-1,2-difluoroethenyl]-5,6,9-trimethylpentadeca-10,13-dien-2-amine
CID 144405281
4-[4-(4-Fluorocyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohexan-1-amine
CID 146303729
1-[3-(4-Cyclohexylcyclohexa-1,5-dien-1-yl)-5-fluorocyclohexyl]ethane-1,2-diamine
CID 164084696
(6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-6,8-dien-1-amine
CID 446717
(3R,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-6,8-dien-1-amine
CID 447470

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine?
The IUPAC name of 6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine (CID 91081611) is 6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine.
What is the SMILES notation for 6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine?
The canonical SMILES for 6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine is C=C(CC1CC(C)C=CC1N)C(C)CC1=CCC(CC2CCCCC2)C=C1.
What is the InChIKey of 6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine?
The InChIKey is OXBQZAUOGJZNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N/c1-19-9-14-26(27)25(15-19)17-21(3)20(2)16-23-10-12-24(13-11-23)18-22-7-5-4-6-8-22/h9-12,14,19-20,22,24-26H,3-8,13,15-18,27H2,1-2H3.
What are the key properties of 6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine?
6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine has a molecular weight of 367.62 g/mol, XLogP of 6.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(cyclohexylmethyl)cyclohexa-1,5-dien-1-yl]-3-methyl-2-methylidenebutyl]-4-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 91081611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).