N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine

C14H19F3N2 — CID 81405721

IUPACN-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESC[C@H](NC1CCCC(C(F)(F)F)C1)c1ccncc1
InChIInChI=1S/C14H19F3N2/c1-10(11-5-7-18-8-6-11)19-13-4-2-3-12(9-13)14(15,16)17/h5-8,10,12-13,19H,2-4,9H2,1H3/t10-,12?,13?/m0/s1
InChIKeyKSGSMZSSTOMERD-PKSQDBQZSA-N
MW272.31 g/mol
LogP3.85
Rot. Bonds3

About N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 81405721) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID81405721
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESC[C@H](NC1CCCC(C(F)(F)F)C1)c1ccncc1
InChIInChI=1S/C14H19F3N2/c1-10(11-5-7-18-8-6-11)19-13-4-2-3-12(9-13)14(15,16)17/h5-8,10,12-13,19H,2-4,9H2,1H3/t10-,12?,13?/m0/s1
InChIKeyKSGSMZSSTOMERD-PKSQDBQZSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
CID 43751306
3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol
CID 43747474
3-(1-pyridin-4-ylethylamino)cyclohexane-1-carboxylic acid
CID 65066385
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81406202
4-propyl-N-(1-pyridin-4-ylethyl)cycloheptan-1-amine
CID 65087218
N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747470
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
CID 81406194
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 81405721) is N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine is C[C@H](NC1CCCC(C(F)(F)F)C1)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KSGSMZSSTOMERD-PKSQDBQZSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-10(11-5-7-18-8-6-11)19-13-4-2-3-12(9-13)14(15,16)17/h5-8,10,12-13,19H,2-4,9H2,1H3/t10-,12?,13?/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 272.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 81405721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).