4-hexan-3-ylcyclopent-2-en-1-amine

C11H21N — CID 126516918

IUPAC4-hexan-3-ylcyclopent-2-en-1-amine
SMILESCCCC(CC)C1C=CC(N)C1
InChIInChI=1S/C11H21N/c1-3-5-9(4-2)10-6-7-11(12)8-10/h6-7,9-11H,3-5,8,12H2,1-2H3
InChIKeyAXIGYOXKBJUYBX-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.72
Rot. Bonds4

About 4-hexan-3-ylcyclopent-2-en-1-amine

4-hexan-3-ylcyclopent-2-en-1-amine (PubChem CID 126516918) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-hexan-3-ylcyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-hexan-3-ylcyclopent-2-en-1-amine
PubChem CID126516918
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-hexan-3-ylcyclopent-2-en-1-amine
SMILESCCCC(CC)C1C=CC(N)C1
InChIInChI=1S/C11H21N/c1-3-5-9(4-2)10-6-7-11(12)8-10/h6-7,9-11H,3-5,8,12H2,1-2H3
InChIKeyAXIGYOXKBJUYBX-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.72
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 4-hexan-3-ylcyclopent-2-en-1-amine?
The IUPAC name of 4-hexan-3-ylcyclopent-2-en-1-amine (CID 126516918) is 4-hexan-3-ylcyclopent-2-en-1-amine.
What is the SMILES notation for 4-hexan-3-ylcyclopent-2-en-1-amine?
The canonical SMILES for 4-hexan-3-ylcyclopent-2-en-1-amine is CCCC(CC)C1C=CC(N)C1.
What is the InChIKey of 4-hexan-3-ylcyclopent-2-en-1-amine?
The InChIKey is AXIGYOXKBJUYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-5-9(4-2)10-6-7-11(12)8-10/h6-7,9-11H,3-5,8,12H2,1-2H3.
What are the key properties of 4-hexan-3-ylcyclopent-2-en-1-amine?
4-hexan-3-ylcyclopent-2-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-3-ylcyclopent-2-en-1-amine is sourced from PubChem (CID 126516918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).