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

C15H24F3N — CID 106657400

IUPAC1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=CCCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H24F3N/c1-19-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15(16,17)18/h7,12-14,19H,2-6,8-10H2,1H3
InChIKeyNMVWPTIQURKHMH-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.44
Rot. Bonds3

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

1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 106657400) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID106657400
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=CCCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H24F3N/c1-19-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15(16,17)18/h7,12-14,19H,2-6,8-10H2,1H3
InChIKeyNMVWPTIQURKHMH-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
N-[(E,2S)-3-[(2R)-2-ethyl-5-fluorocyclohexyl]pent-3-en-2-yl]-4-methylcyclohexan-1-amine
CID 68341249
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine
CID 122503523
4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 131968619
2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
CID 137400808
6-(4-Fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453704
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453705
(4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine
CID 139456278
(8R)-1,8-difluoro-3,7,8-trimethyl-3,5,6,7-tetrahydro-2H-isoquinoline
CID 141853234
2,6-difluoro-N-[3-[6-(4-fluoro-2-methylcyclohexyl)-2-methyl-4-propan-2-ylcyclohexen-1-yl]propyl]cyclohex-2-en-1-amine
CID 142802718
(1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine
CID 156803399

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 106657400) is 1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine is CNC(C1=CCCCC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is NMVWPTIQURKHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N/c1-19-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15(16,17)18/h7,12-14,19H,2-6,8-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 275.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 106657400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).