N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine

C11H20FN — CID 81105233

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine
SMILESFCCCNCCC1=CCCCC1
InChIInChI=1S/C11H20FN/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h5,13H,1-4,6-10H2
InChIKeyZOEKIDBPFROSOT-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine (PubChem CID 81105233) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine
PubChem CID81105233
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine
SMILESFCCCNCCC1=CCCCC1
InChIInChI=1S/C11H20FN/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h5,13H,1-4,6-10H2
InChIKeyZOEKIDBPFROSOT-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.83
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

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(2-Cyclohex-1-EN-1-ylethyl)(cyclopropylmethyl)amine
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R-Azabisabolene
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S-Azabisabolene
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N-[2-(1-cyclohexen-1-yl)ethyl]-1-propanamine hydrochloride
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[2-(1-Cyclohexen-1-yl)ethyl]ethylamine hydrochloride
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2-[(1Z)-cycloundecen-1-yl]-2-fluoroethanamine
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4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
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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 N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine (CID 81105233) is N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine is FCCCNCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine?
The InChIKey is ZOEKIDBPFROSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h5,13H,1-4,6-10H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 81105233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).