1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine

C14H23F2N — CID 106657342

IUPAC1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2N/c1-17-13(11-5-3-2-4-6-11)12-7-9-14(15,16)10-8-12/h5,12-13,17H,2-4,6-10H2,1H3
InChIKeyXSHASLSHXYNPLO-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.90
Rot. Bonds3

About 1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine

1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine (PubChem CID 106657342) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
PubChem CID106657342
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC Name1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2N/c1-17-13(11-5-3-2-4-6-11)12-7-9-14(15,16)10-8-12/h5,12-13,17H,2-4,6-10H2,1H3
InChIKeyXSHASLSHXYNPLO-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.90
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-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
(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
(2R)-2-[5-(fluoromethyl)-2,5-dihydro-1H-pyrrol-2-yl]-4-(trifluoromethyl)cyclohex-3-en-1-amine
CID 90434015
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-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine
CID 123194306

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine (CID 106657342) is 1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine is CNC(C1=CCCCC1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine?
The InChIKey is XSHASLSHXYNPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N/c1-17-13(11-5-3-2-4-6-11)12-7-9-14(15,16)10-8-12/h5,12-13,17H,2-4,6-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine?
1-(cyclohexen-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine has a molecular weight of 243.34 g/mol, XLogP of 3.90, 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)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 106657342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).