1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine

C14H23F2N — CID 114223799

IUPAC1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine
SMILESFC1(F)CCCC(CNCC2CC=CCC2)C1
InChIInChI=1S/C14H23F2N/c15-14(16)8-4-7-13(9-14)11-17-10-12-5-2-1-3-6-12/h1-2,12-13,17H,3-11H2
InChIKeyQHSFNJZNRFRROK-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.76
Rot. Bonds4

About 1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine

1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine (PubChem CID 114223799) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine
PubChem CID114223799
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC Name1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine
SMILESFC1(F)CCCC(CNCC2CC=CCC2)C1
InChIInChI=1S/C14H23F2N/c15-14(16)8-4-7-13(9-14)11-17-10-12-5-2-1-3-6-12/h1-2,12-13,17H,3-11H2
InChIKeyQHSFNJZNRFRROK-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

2-(1-Cyclohexen-1-YL)-N-(cyclohexylmethyl)-1-ethanamine hydrochloride
CID 11948824
(2-Cyclohex-1-EN-1-ylethyl)(cyclohexylmethyl)amine
CID 1787863
4-Cyclohexa-1,3-dien-1-yl-4-(2,2-difluoroethyl)piperidine
CID 117950631
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
(E)-3-cyclohexyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 138563760
(E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine
CID 139376285
4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine
CID 142871635
3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine
CID 143703356
4-(3,4-Difluorocyclohex-2-en-1-yl)piperidine
CID 144930001
2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine
CID 156624708
1-cyclohexyl-N-[[6-(trifluoromethyl)cyclohexen-1-yl]methyl]methanamine
CID 162578645
N-[[(1S,6S)-6-methyl-3-(trifluoromethyl)cyclohex-2-en-1-yl]methyl]ethanamine
CID 163500206

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine (CID 114223799) is 1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine is FC1(F)CCCC(CNCC2CC=CCC2)C1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine?
The InChIKey is QHSFNJZNRFRROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N/c15-14(16)8-4-7-13(9-14)11-17-10-12-5-2-1-3-6-12/h1-2,12-13,17H,3-11H2.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine has a molecular weight of 243.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(3,3-difluorocyclohexyl)methyl]methanamine is sourced from PubChem (CID 114223799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).