N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine

C15H26F3N — CID 81384891

IUPACN-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H26F3N/c1-11(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)15(16,17)18/h11-14,19H,2-10H2,1H3/t11-,13?,14?/m0/s1
InChIKeyILLSPJZGJZZYBM-XGNXJENSSA-N
MW277.37 g/mol
LogP4.67
Rot. Bonds3

About N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 81384891) has the molecular formula C15H26F3N and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID81384891
Molecular FormulaC15H26F3N
Molecular Weight277.37 g/mol
Exact Mass277.20
IUPAC NameN-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H26F3N/c1-11(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)15(16,17)18/h11-14,19H,2-10H2,1H3/t11-,13?,14?/m0/s1
InChIKeyILLSPJZGJZZYBM-XGNXJENSSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81386134
N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 113260108
2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
CID 81392910
2-[[(1R)-1-cyclopentylethyl]amino]cycloheptan-1-ol
CID 81395053
N-[(1R)-1-cyclohexylethyl]-2-methylcyclohexan-1-amine
CID 81384477
trans-(1S,2S)-2-[[(1R)-1-cyclopentylethyl]amino]cyclopentan-1-ol
CID 102733833
N-[(1S)-1-cyclohexylethyl]-2-methylcyclopentan-1-amine
CID 81387266
N-[(1S)-1-cycloheptylethyl]-2-methylcyclopentan-1-amine
CID 81391283
N-(1-cyclopentylethyl)-2-methylcyclohexan-1-amine
CID 62631533
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979
trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508980

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 81384891) is N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine is C[C@H](NC1CCCCC1C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is ILLSPJZGJZZYBM-XGNXJENSSA-N. The full InChI is InChI=1S/C15H26F3N/c1-11(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)15(16,17)18/h11-14,19H,2-10H2,1H3/t11-,13?,14?/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 81384891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).