1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine

C11H20FN — CID 129045764

IUPAC1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
SMILESCC(CC1CC=CCC1)NCCF
InChIInChI=1S/C11H20FN/c1-10(13-8-7-12)9-11-5-3-2-4-6-11/h2-3,10-11,13H,4-9H2,1H3
InChIKeyUIWWMSROJHEETM-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.68
Rot. Bonds5

About 1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine

1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine (PubChem CID 129045764) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
PubChem CID129045764
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
SMILESCC(CC1CC=CCC1)NCCF
InChIInChI=1S/C11H20FN/c1-10(13-8-7-12)9-11-5-3-2-4-6-11/h2-3,10-11,13H,4-9H2,1H3
InChIKeyUIWWMSROJHEETM-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.68
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

2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
3-Cyclohexene-1-methylamine, N-cyclopropyl-
CID 204181
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
(Bicyclo(2.2.1)hept-5-en-2-ylmethyl)(propan-2-yl)amine
CID 43225117
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
(4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine
CID 66694342
(2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
CID 66695539
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine (CID 129045764) is 1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine is CC(CC1CC=CCC1)NCCF.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine?
The InChIKey is UIWWMSROJHEETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-10(13-8-7-12)9-11-5-3-2-4-6-11/h2-3,10-11,13H,4-9H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine?
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine has a molecular weight of 185.29 g/mol, XLogP of 2.68, 5 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-(2-fluoroethyl)propan-2-amine is sourced from PubChem (CID 129045764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).