N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine

C15H28F3N — CID 106023449

IUPACN-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCCC(CCC)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H28F3N/c1-3-5-9-13(7-4-2)19-14-10-6-8-12(11-14)15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyREGCIMAVNXJITO-UHFFFAOYSA-N
MW279.39 g/mol
LogP5.06
Rot. Bonds7

About N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine

N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 106023449) has the molecular formula C15H28F3N and a molecular weight of 279.39 g/mol. Its IUPAC name is N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID106023449
Molecular FormulaC15H28F3N
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC NameN-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCCC(CCC)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H28F3N/c1-3-5-9-13(7-4-2)19-14-10-6-8-12(11-14)15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyREGCIMAVNXJITO-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.39
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64917573
N-decan-4-ylcyclohexanamine
CID 175237913
ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64760017
N-octan-4-yl-4-propylcyclohexan-1-amine
CID 114138056
1-methyl-N-octan-4-ylazepan-4-amine
CID 113340340
N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
CID 105126402
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
1-methyl-N-octan-4-ylpiperidin-4-amine
CID 103776296
(2S)-N-[(2S)-butan-2-yl]-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 99626186
(2S)-N-[(2S)-butan-2-yl]-2-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 129430013
3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758826

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine (CID 106023449) is N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine is CCCCC(CCC)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is REGCIMAVNXJITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N/c1-3-5-9-13(7-4-2)19-14-10-6-8-12(11-14)15(16,17)18/h12-14,19H,3-11H2,1-2H3.
What are the key properties of N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine?
N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 106023449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).