2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine

C20H37N — CID 64739420

IUPAC2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(C2(N)CCCCC2C2CCCCC2)CC1C
InChIInChI=1S/C20H37N/c1-15-11-12-18(14-16(15)2)20(21)13-7-6-10-19(20)17-8-4-3-5-9-17/h15-19H,3-14,21H2,1-2H3
InChIKeyAYASITOKGLCZQP-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.53
Rot. Bonds2

About 2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine

2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine (PubChem CID 64739420) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine
PubChem CID64739420
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(C2(N)CCCCC2C2CCCCC2)CC1C
InChIInChI=1S/C20H37N/c1-15-11-12-18(14-16(15)2)20(21)13-7-6-10-19(20)17-8-4-3-5-9-17/h15-19H,3-14,21H2,1-2H3
InChIKeyAYASITOKGLCZQP-UHFFFAOYSA-N
XLogP5.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-2-methylcyclohexan-1-amine
CID 82931177
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914
2-tert-butyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-ol
CID 64740981
1-butyl-2-cyclohexylcyclohexan-1-amine
CID 55187524
1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
CID 64756014
2-cyclononylcyclononane-1,1-diol
CID 23113232
(2R)-2-cyclohexyl-1,1-difluorocyclohexane
CID 125450825
2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine
CID 82920767
4-(3-ethylcyclobutyl)-4-(3-methylcyclobutyl)-1,2,3,3a,5,6,7,8,9,9a-decahydrocyclopenta[8]annulene;propane
CID 144530805
1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine
CID 65086896
3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine
CID 112563947
1,2-dimethylcyclononadecane
CID 123549851

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine (CID 64739420) is 2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine is CC1CCC(C2(N)CCCCC2C2CCCCC2)CC1C.
What is the InChIKey of 2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine?
The InChIKey is AYASITOKGLCZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-15-11-12-18(14-16(15)2)20(21)13-7-6-10-19(20)17-8-4-3-5-9-17/h15-19H,3-14,21H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine?
2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine has a molecular weight of 291.52 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 64739420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).