2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine

C9H16F3N — CID 63897712

IUPAC2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CCCC(C)C1(N)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-6-4-3-5-7(2)8(6,13)9(10,11)12/h6-7H,3-5,13H2,1-2H3
InChIKeyGHQYALIVTMMCDZ-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.70
Rot. Bonds

About 2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine

2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 63897712) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine
PubChem CID63897712
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CCCC(C)C1(N)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-6-4-3-5-7(2)8(6,13)9(10,11)12/h6-7H,3-5,13H2,1-2H3
InChIKeyGHQYALIVTMMCDZ-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexyl-1,1-difluoro-2-methylpropan-2-amine hydrochloride
CID 145915361
1,2-Dimethylcyclohexan-1-amine
CID 3021679
4-Propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine
CID 63897525
4-Ethyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 63898478
4,4-Difluoro-1-(2-methylpropyl)cyclohexan-1-amine
CID 66570365
1-(4,4-Difluorocyclohexyl)-2-methylpropan-2-amine
CID 67531879
2-(4,4-Difluorocyclohexyl)propan-2-amine
CID 69918337
trans-(1R,5S)-5-fluoro-1,2,2-trimethylcyclohexan-1-amine
CID 118680499
2-[(3S)-2-methyl-3-(trifluoromethyl)cyclohexyl]ethanamine
CID 134171797
4-Fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine
CID 135252219
1-[2-Methyl-3-(trifluoromethyl)cyclohexyl]ethanamine
CID 142383039
(3-Tert-butylcyclohexyl)-difluoromethanamine
CID 143848363

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine (CID 63897712) is 2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine is CC1CCCC(C)C1(N)C(F)(F)F.
What is the InChIKey of 2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GHQYALIVTMMCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-6-4-3-5-7(2)8(6,13)9(10,11)12/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine?
2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 63897712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).