2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine

C10H18FN — CID 80695518

IUPAC2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine
SMILESFCCNCCC1=CCCCC1
InChIInChI=1S/C10H18FN/c11-7-9-12-8-6-10-4-2-1-3-5-10/h4,12H,1-3,5-9H2
InChIKeyZPDSBYFAZQOQOV-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.44
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine

2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine (PubChem CID 80695518) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine
PubChem CID80695518
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine
SMILESFCCNCCC1=CCCCC1
InChIInChI=1S/C10H18FN/c11-7-9-12-8-6-10-4-2-1-3-5-10/h4,12H,1-3,5-9H2
InChIKeyZPDSBYFAZQOQOV-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.44
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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Related Compounds

2-(1-Cyclohexen-1-YL)-N-(cyclopropylmethyl)-1-ethanamine hydrochloride
CID 11948802
(2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine
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R-Azabisabolene
CID 5289266
S-Azabisabolene
CID 5289326
N-[2-(1-cyclohexen-1-yl)ethyl]-1-propanamine hydrochloride
CID 16641248
[2-(1-Cyclohexen-1-yl)ethyl]ethylamine hydrochloride
CID 16956078
[2-(Cyclohex-1-en-1-yl)ethyl](methyl)amine
CID 18360934
4-(4-Fluorocyclohexen-1-yl)piperidine
CID 89168221
2-[(1Z)-cycloundecen-1-yl]-2-fluoroethanamine
CID 90212060
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
N-ethyl-1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]propan-2-amine
CID 132005049
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CID 143703356

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine (CID 80695518) is 2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine is FCCNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine?
The InChIKey is ZPDSBYFAZQOQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c11-7-9-12-8-6-10-4-2-1-3-5-10/h4,12H,1-3,5-9H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(2-fluoroethyl)ethanamine has a molecular weight of 171.26 g/mol, XLogP of 2.44, 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-(2-fluoroethyl)ethanamine is sourced from PubChem (CID 80695518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).