2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine

C15H26FN — CID 156624708

IUPAC2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine
SMILESFC1CCC(CNCCC2=CCCCC2)CC1
InChIInChI=1S/C15H26FN/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h4,14-15,17H,1-3,5-12H2
InChIKeyYXOVOVBMFAIWBC-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.99
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine (PubChem CID 156624708) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine
PubChem CID156624708
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine
SMILESFC1CCC(CNCCC2=CCCCC2)CC1
InChIInChI=1S/C15H26FN/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h4,14-15,17H,1-3,5-12H2
InChIKeyYXOVOVBMFAIWBC-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine (CID 156624708) is 2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine is FC1CCC(CNCCC2=CCCCC2)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine?
The InChIKey is YXOVOVBMFAIWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h4,14-15,17H,1-3,5-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine has a molecular weight of 239.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(4-fluorocyclohexyl)methyl]ethanamine is sourced from PubChem (CID 156624708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).