(3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine

C16H28F3N — CID 105154537

IUPAC(3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CCC(C(N)C2CCCCC2C(F)(F)F)CC1C
InChIInChI=1S/C16H28F3N/c1-10-7-8-12(9-11(10)2)15(20)13-5-3-4-6-14(13)16(17,18)19/h10-15H,3-9,20H2,1-2H3
InChIKeyCTNJIPFNFGDEBL-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.75
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine

(3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105154537) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105154537
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name(3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CCC(C(N)C2CCCCC2C(F)(F)F)CC1C
InChIInChI=1S/C16H28F3N/c1-10-7-8-12(9-11(10)2)15(20)13-5-3-4-6-14(13)16(17,18)19/h10-15H,3-9,20H2,1-2H3
InChIKeyCTNJIPFNFGDEBL-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(Trifluoromethyl)cyclohexyl]propan-1-amine
CID 79307361
1-[4-(Trifluoromethyl)cyclohexyl]ethan-1-amine hydrochloride
CID 137838089
4-(1,1,1-Trifluoropropan-2-yl)cyclohexan-1-amine
CID 21252702
(1S,2R,3R,5R)-2-(difluoromethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine
CID 59574399
1-[4-(Trifluoromethyl)cyclohexyl]ethan-1-amine
CID 66436540
4-[4-(2,3-Difluoro-4-methylcyclohexyl)cyclohexyl]cyclohexan-1-amine
CID 67968170
2-(Difluoromethyl)-6,6-dimethylbicyclo[3.1.1]heptan-3-amine
CID 68431542
4-[4-[(1S)-2,3-difluoro-4-methylcyclohexyl]cyclohexyl]cyclohexan-1-amine
CID 70651699
4-(2,3-Difluoro-4-methylcyclohexyl)cyclohexan-1-amine
CID 70806819
4-[4-(3,4-Difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine
CID 70820162
4-[2,3-Difluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-amine
CID 70906694
4-[4-[3,5-Difluoro-4-(trifluoromethyl)cyclohexyl]cyclohexyl]cyclohexan-1-amine
CID 70965835

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105154537) is (3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine is CC1CCC(C(N)C2CCCCC2C(F)(F)F)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is CTNJIPFNFGDEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N/c1-10-7-8-12(9-11(10)2)15(20)13-5-3-4-6-14(13)16(17,18)19/h10-15H,3-9,20H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
(3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 291.40 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105154537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).