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

C17H28F3N — CID 106656786

IUPAC1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=CCCCCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H28F3N/c1-21-16(13-7-5-3-2-4-6-8-13)14-9-11-15(12-10-14)17(18,19)20/h7,14-16,21H,2-6,8-12H2,1H3
InChIKeyWVHYGWDWMMQHHF-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.22
Rot. Bonds3

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

1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 106656786) has the molecular formula C17H28F3N and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID106656786
Molecular FormulaC17H28F3N
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=CCCCCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H28F3N/c1-21-16(13-7-5-3-2-4-6-8-13)14-9-11-15(12-10-14)17(18,19)20/h7,14-16,21H,2-6,8-12H2,1H3
InChIKeyWVHYGWDWMMQHHF-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.22
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-[(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
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
(4R,5S)-5-fluoro-N-methyl-4-(trifluoromethyl)cyclooct-2-en-1-amine
CID 164171796
(2R,5S)-2-(4,4-difluorocyclohexen-1-yl)-5-methylpiperidine
CID 169114344

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 106656786) is 1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is CNC(C1=CCCCCCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is WVHYGWDWMMQHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N/c1-21-16(13-7-5-3-2-4-6-8-13)14-9-11-15(12-10-14)17(18,19)20/h7,14-16,21H,2-6,8-12H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 303.41 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 106656786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).