2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine

C9H16F3N — CID 64753806

IUPAC2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CCC(C)C(N)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-6-3-4-7(2)8(13,5-6)9(10,11)12/h6-7H,3-5,13H2,1-2H3
InChIKeyKIZSUQBGINOKLR-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.70
Rot. Bonds

About 2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine

2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753806) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753806
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CCC(C)C(N)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-6-3-4-7(2)8(13,5-6)9(10,11)12/h6-7H,3-5,13H2,1-2H3
InChIKeyKIZSUQBGINOKLR-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

(2R)-1,1-difluoro-2,5-dimethylcyclohexane
CID 59909083
2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine
CID 64761587
2,6-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 63897712
2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine
CID 131064547
2,5-dimethylcyclohexane-1,1-diol
CID 147718738
2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine
CID 64760776
1-amino-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64552541
2,5-dimethylcycloheptane-1,1-diamine
CID 174899795
2,5,11,14-tetramethyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane
CID 10469126
2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine
CID 64762780
2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892414
1-amino-N-cyclopropyl-3-methyl-N-propylcyclohexane-1-carboxamide
CID 64550261

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine (CID 64753806) is 2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine is CC1CCC(C)C(N)(C(F)(F)F)C1.
What is the InChIKey of 2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KIZSUQBGINOKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-6-3-4-7(2)8(13,5-6)9(10,11)12/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine?
2,5-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 2,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).