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

C15H24F3N — CID 106657470

IUPAC1-(cyclohexen-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=CCCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H24F3N/c1-19-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16,17)18/h5,12-14,19H,2-4,6-10H2,1H3
InChIKeyQBNQICQUAMOMQI-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.44
Rot. Bonds3

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

1-(cyclohexen-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 106657470) 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-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID106657470
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=CCCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H24F3N/c1-19-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16,17)18/h5,12-14,19H,2-4,6-10H2,1H3
InChIKeyQBNQICQUAMOMQI-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

N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
4-[2-(3,5-Difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 90382272
4-[2-(4,5-Difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 90382274
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
2,6-Diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)cyclohex-3-en-1-amine
CID 123409973
6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine
CID 129016724
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 106657470) is 1-(cyclohexen-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is CNC(C1=CCCCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is QBNQICQUAMOMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N/c1-19-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16,17)18/h5,12-14,19H,2-4,6-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
1-(cyclohexen-1-yl)-N-methyl-1-[4-(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-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 106657470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).