3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine

C17H32F3N — CID 105138024

IUPAC3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C17H32F3N/c1-4-8-13(3)12-16(21-11-5-2)14-9-6-7-10-15(14)17(18,19)20/h13-16,21H,4-12H2,1-3H3
InChIKeyXMYXKJOVLGOWOM-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.55
Rot. Bonds8

About 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine

3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine (PubChem CID 105138024) has the molecular formula C17H32F3N and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
PubChem CID105138024
Molecular FormulaC17H32F3N
Molecular Weight307.44 g/mol
Exact Mass307.25
IUPAC Name3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C17H32F3N/c1-4-8-13(3)12-16(21-11-5-2)14-9-6-7-10-15(14)17(18,19)20/h13-16,21H,4-12H2,1-3H3
InChIKeyXMYXKJOVLGOWOM-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-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-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105078920
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105125593
3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138112
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105081119
3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine
CID 65423977
N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 107893991
N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105084116
3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine
CID 80627756
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
CID 105153388
1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine
CID 107004333
N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138060

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine (CID 105138024) is 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine is CCCNC(CC(C)CCC)C1CCCCC1C(F)(F)F.
What is the InChIKey of 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine?
The InChIKey is XMYXKJOVLGOWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F3N/c1-4-8-13(3)12-16(21-11-5-2)14-9-6-7-10-15(14)17(18,19)20/h13-16,21H,4-12H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine?
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine is sourced from PubChem (CID 105138024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).