N-octyl-2-(trifluoromethyl)cyclohexan-1-amine

C15H28F3N — CID 43434509

IUPACN-octyl-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCCCCCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C15H28F3N/c1-2-3-4-5-6-9-12-19-14-11-8-7-10-13(14)15(16,17)18/h13-14,19H,2-12H2,1H3
InChIKeyPGEYQNWEZRXAPQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP5.06
Rot. Bonds8

About N-octyl-2-(trifluoromethyl)cyclohexan-1-amine

N-octyl-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43434509) has the molecular formula C15H28F3N and a molecular weight of 279.39 g/mol. Its IUPAC name is N-octyl-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-octyl-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43434509
Molecular FormulaC15H28F3N
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC NameN-octyl-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCCCCCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C15H28F3N/c1-2-3-4-5-6-9-12-19-14-11-8-7-10-13(14)15(16,17)18/h13-14,19H,2-12H2,1H3
InChIKeyPGEYQNWEZRXAPQ-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Propylhexedrine
CID 7558
N-(2-Ethylhexyl)cyclohexanamine
CID 221524
(alphaS)-N,alpha-Dimethylcyclohexaneethanamine
CID 71197
Cyclohexanemethylamine, N-cyclopropyl-alpha-methyl-
CID 202159
[(1S)-1-cyclohexylethyl](methyl)amine
CID 15194969
2-ethyl-N-methylcyclohexan-1-amine
CID 58095435
2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
((4,4-Difluorocyclohexyl)methyl)(methyl)amine hydrochloride
CID 146049846
N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 11506560
N-(cyclohexylmethyl)propan-2-amine
CID 15365766
3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43810724
N-(propan-2-yl)-4-propylcyclohexan-1-amine hydrochloride
CID 45792012

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-octyl-2-(trifluoromethyl)cyclohexan-1-amine (CID 43434509) is N-octyl-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-octyl-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-octyl-2-(trifluoromethyl)cyclohexan-1-amine is CCCCCCCCNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-octyl-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PGEYQNWEZRXAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N/c1-2-3-4-5-6-9-12-19-14-11-8-7-10-13(14)15(16,17)18/h13-14,19H,2-12H2,1H3.
What are the key properties of N-octyl-2-(trifluoromethyl)cyclohexan-1-amine?
N-octyl-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43434509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).