4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine

C11H22N2 — CID 79207848

IUPAC4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine
SMILESCCC(C)CNCC1C=CC(N)C1
InChIInChI=1S/C11H22N2/c1-3-9(2)7-13-8-10-4-5-11(12)6-10/h4-5,9-11,13H,3,6-8,12H2,1-2H3
InChIKeyFVQPCXLHMVILGW-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.53
Rot. Bonds5

About 4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine

4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine (PubChem CID 79207848) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine
PubChem CID79207848
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine
SMILESCCC(C)CNCC1C=CC(N)C1
InChIInChI=1S/C11H22N2/c1-3-9(2)7-13-8-10-4-5-11(12)6-10/h4-5,9-11,13H,3,6-8,12H2,1-2H3
InChIKeyFVQPCXLHMVILGW-UHFFFAOYSA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine (CID 79207848) is 4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine is CCC(C)CNCC1C=CC(N)C1.
What is the InChIKey of 4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine?
The InChIKey is FVQPCXLHMVILGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-9(2)7-13-8-10-4-5-11(12)6-10/h4-5,9-11,13H,3,6-8,12H2,1-2H3.
What are the key properties of 4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine?
4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbutylamino)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).