1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine

C11H20FN — CID 91802558

IUPAC1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine
SMILESCCC(C)C(N)C(F)C1=CCCC1
InChIInChI=1S/C11H20FN/c1-3-8(2)11(13)10(12)9-6-4-5-7-9/h6,8,10-11H,3-5,7,13H2,1-2H3
InChIKeyPECUFEVMUQMRBF-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.81
Rot. Bonds4

About 1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine

1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine (PubChem CID 91802558) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine
PubChem CID91802558
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine
SMILESCCC(C)C(N)C(F)C1=CCCC1
InChIInChI=1S/C11H20FN/c1-3-8(2)11(13)10(12)9-6-4-5-7-9/h6,8,10-11H,3-5,7,13H2,1-2H3
InChIKeyPECUFEVMUQMRBF-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine?
The IUPAC name of 1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine (CID 91802558) is 1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine?
The canonical SMILES for 1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine is CCC(C)C(N)C(F)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine?
The InChIKey is PECUFEVMUQMRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-3-8(2)11(13)10(12)9-6-4-5-7-9/h6,8,10-11H,3-5,7,13H2,1-2H3.
What are the key properties of 1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine?
1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine has a molecular weight of 185.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine is sourced from PubChem (CID 91802558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).