(E)-3-cyclopentylbut-2-en-2-amine

C9H17N — CID 174028548

IUPAC(E)-3-cyclopentylbut-2-en-2-amine
SMILESC/C(N)=C(/C)C1CCCC1
InChIInChI=1S/C9H17N/c1-7(8(2)10)9-5-3-4-6-9/h9H,3-6,10H2,1-2H3/b8-7+
InChIKeySHWZOKJVDVRJIN-BQYQJAHWSA-N
MW139.24 g/mol
LogP2.43
Rot. Bonds1

About (E)-3-cyclopentylbut-2-en-2-amine

(E)-3-cyclopentylbut-2-en-2-amine (PubChem CID 174028548) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-3-cyclopentylbut-2-en-2-amine.

Molecular Properties

Compound Name(E)-3-cyclopentylbut-2-en-2-amine
PubChem CID174028548
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-3-cyclopentylbut-2-en-2-amine
SMILESC/C(N)=C(/C)C1CCCC1
InChIInChI=1S/C9H17N/c1-7(8(2)10)9-5-3-4-6-9/h9H,3-6,10H2,1-2H3/b8-7+
InChIKeySHWZOKJVDVRJIN-BQYQJAHWSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-3-cyclopentylbut-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopentylbut-2-en-2-amine?
The IUPAC name of (E)-3-cyclopentylbut-2-en-2-amine (CID 174028548) is (E)-3-cyclopentylbut-2-en-2-amine.
What is the SMILES notation for (E)-3-cyclopentylbut-2-en-2-amine?
The canonical SMILES for (E)-3-cyclopentylbut-2-en-2-amine is C/C(N)=C(/C)C1CCCC1.
What is the InChIKey of (E)-3-cyclopentylbut-2-en-2-amine?
The InChIKey is SHWZOKJVDVRJIN-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17N/c1-7(8(2)10)9-5-3-4-6-9/h9H,3-6,10H2,1-2H3/b8-7+.
What are the key properties of (E)-3-cyclopentylbut-2-en-2-amine?
(E)-3-cyclopentylbut-2-en-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopentylbut-2-en-2-amine is sourced from PubChem (CID 174028548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).