1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine

C16H26F3N — CID 106657155

IUPAC1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=CCCCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H26F3N/c1-20-15(12-6-4-2-3-5-7-12)13-8-10-14(11-9-13)16(17,18)19/h6,13-15,20H,2-5,7-11H2,1H3
InChIKeyQGAUFPIFQVTHKM-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.83
Rot. Bonds3

About 1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine

1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 106657155) has the molecular formula C16H26F3N and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID106657155
Molecular FormulaC16H26F3N
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=CCCCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H26F3N/c1-20-15(12-6-4-2-3-5-7-12)13-8-10-14(11-9-13)16(17,18)19/h6,13-15,20H,2-5,7-11H2,1H3
InChIKeyQGAUFPIFQVTHKM-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.83
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

6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine
CID 123194306
3-ethylidene-5-methyl-4-prop-1-enyl-N-[4-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]butyl]hepta-4,6-dien-2-amine
CID 123464797
4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 131968619
(2Z,3E)-8-(1,1-difluoroethyl)-N-methyl-2,3-di(propylidene)spiro[4.5]decan-4-amine
CID 132100987
2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine
CID 134389931
2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
CID 137400808
4-methyl-N-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4-dienyl]cyclohept-2-en-1-amine
CID 138662155
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
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
(E)-2-N-[1-[4-[[[(5E)-5-ethylidenenonan-2-yl]amino]methyl]cyclohexyl]ethyl]-5-fluorohept-4-ene-2,3-diamine
CID 156561396

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 106657155) is 1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is CNC(C1=CCCCCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is QGAUFPIFQVTHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N/c1-20-15(12-6-4-2-3-5-7-12)13-8-10-14(11-9-13)16(17,18)19/h6,13-15,20H,2-5,7-11H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 289.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 106657155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).