1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine

C13H22F3N — CID 105187578

IUPAC1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1CCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3N/c1-17-12(9-5-4-6-9)10-7-2-3-8-11(10)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyMAOGSEBQCCTIRG-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.74
Rot. Bonds3

About 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine

1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105187578) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105187578
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1CCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3N/c1-17-12(9-5-4-6-9)10-7-2-3-8-11(10)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyMAOGSEBQCCTIRG-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
4-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 28370940
4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 29051448
N-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-amine
CID 58286892
4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 58344235
4,4-difluoro-N,1-di(propan-2-yl)cyclohexan-1-amine
CID 58818490
N-butyl-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 69760679
3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine
CID 70326662
2-[2-(Trifluoromethyl)cyclohexyl]piperidine
CID 70329146
N-ethyl-1-(4-fluoro-2-methylcyclohexyl)ethanamine
CID 70329147

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105187578) is 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine is CNC(C1CCC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is MAOGSEBQCCTIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-17-12(9-5-4-6-9)10-7-2-3-8-11(10)13(14,15)16/h9-12,17H,2-8H2,1H3.
What are the key properties of 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 249.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105187578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).