N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine

C15H28F3N — CID 105125593

IUPACN-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESCCCCC(NCCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H28F3N/c1-3-5-10-14(19-11-4-2)12-8-6-7-9-13(12)15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyWAKJJKMDDIMZDY-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.91
Rot. Bonds7

About N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine

N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine (PubChem CID 105125593) has the molecular formula C15H28F3N and a molecular weight of 279.39 g/mol. Its IUPAC name is N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
PubChem CID105125593
Molecular FormulaC15H28F3N
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC NameN-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESCCCCC(NCCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H28F3N/c1-3-5-10-14(19-11-4-2)12-8-6-7-9-13(12)15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyWAKJJKMDDIMZDY-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105078920
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138024
N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105081119
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179551
N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105084116
5,5,5-trifluoro-1-(2-methylcyclopentyl)-N-propylpentan-1-amine
CID 107190458
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine
CID 107011407
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
CID 105153388
N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105098515
1-(4-methylcyclohexyl)-N-propylpentan-1-amine
CID 63415743
1-(2-ethylcyclohexyl)-4-methoxy-N-propylbutan-1-amine
CID 65092174
N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 107893991

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The IUPAC name of N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine (CID 105125593) is N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine.
What is the SMILES notation for N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The canonical SMILES for N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine is CCCCC(NCCC)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The InChIKey is WAKJJKMDDIMZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N/c1-3-5-10-14(19-11-4-2)12-8-6-7-9-13(12)15(16,17)18/h12-14,19H,3-11H2,1-2H3.
What are the key properties of N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine?
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine is sourced from PubChem (CID 105125593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).