N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine

C15H25F2N — CID 106657434

IUPACN-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2N/c1-2-18-14(12-6-4-3-5-7-12)13-8-10-15(16,17)11-9-13/h6,13-14,18H,2-5,7-11H2,1H3
InChIKeyCOAFFQGYGRRZNF-UHFFFAOYSA-N
MW257.37 g/mol
LogP4.29
Rot. Bonds4

About N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine

N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine (PubChem CID 106657434) has the molecular formula C15H25F2N and a molecular weight of 257.37 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine
PubChem CID106657434
Molecular FormulaC15H25F2N
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2N/c1-2-18-14(12-6-4-3-5-7-12)13-8-10-15(16,17)11-9-13/h6,13-14,18H,2-5,7-11H2,1H3
InChIKeyCOAFFQGYGRRZNF-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-[(E,2S)-3-[(2R)-2-ethyl-5-fluorocyclohexyl]pent-3-en-2-yl]-4-methylcyclohexan-1-amine
CID 68341249
(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
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840
4-(4-Fluorocyclohexen-1-yl)piperidine
CID 89168221
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

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine (CID 106657434) is N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine is CCNC(C1=CCCCC1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine?
The InChIKey is COAFFQGYGRRZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N/c1-2-18-14(12-6-4-3-5-7-12)13-8-10-15(16,17)11-9-13/h6,13-14,18H,2-5,7-11H2,1H3.
What are the key properties of N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine?
N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine has a molecular weight of 257.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106657434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).