N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine

C13H24F3N — CID 43788012

IUPACN-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCCC(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-3-4-5-10(2)17-12-8-6-11(7-9-12)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyUIKHDWHQTMMUPY-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.28
Rot. Bonds5

About N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine

N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43788012) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43788012
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC NameN-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCCC(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-3-4-5-10(2)17-12-8-6-11(7-9-12)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyUIKHDWHQTMMUPY-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Ethylhexyl)cyclohexanamine
CID 221524
N,4-Dimethylcyclohexanamine
CID 4962029
N,4-dimethylcyclohexan-1-amine hydrochloride
CID 18472520
N-methyl-4-propylcyclohexan-1-amine
CID 28608095
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-cyclopropyl-4-methylcyclohexan-1-amine hydrochloride
CID 45286062
N-(propan-2-yl)-4-propylcyclohexan-1-amine hydrochloride
CID 45792012
4-(3,3-Difluorobutyl)piperidine
CID 84656072

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (CID 43788012) is N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is CCCCC(C)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is UIKHDWHQTMMUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-3-4-5-10(2)17-12-8-6-11(7-9-12)13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43788012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).