3-propan-2-yl-2,5-dihydropyrrol-1-amine

C7H14N2 — CID 89331133

IUPAC3-propan-2-yl-2,5-dihydropyrrol-1-amine
SMILESCC(C)C1=CCN(N)C1
InChIInChI=1S/C7H14N2/c1-6(2)7-3-4-9(8)5-7/h3,6H,4-5,8H2,1-2H3
InChIKeyKGOQAXUMACDHCY-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.76
Rot. Bonds1

About 3-propan-2-yl-2,5-dihydropyrrol-1-amine

3-propan-2-yl-2,5-dihydropyrrol-1-amine (PubChem CID 89331133) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-propan-2-yl-2,5-dihydropyrrol-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-2,5-dihydropyrrol-1-amine
PubChem CID89331133
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-propan-2-yl-2,5-dihydropyrrol-1-amine
SMILESCC(C)C1=CCN(N)C1
InChIInChI=1S/C7H14N2/c1-6(2)7-3-4-9(8)5-7/h3,6H,4-5,8H2,1-2H3
InChIKeyKGOQAXUMACDHCY-UHFFFAOYSA-N
XLogP0.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-propan-2-yl-2,5-dihydropyrrol-1-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 3-propan-2-yl-2,5-dihydropyrrol-1-amine?
The IUPAC name of 3-propan-2-yl-2,5-dihydropyrrol-1-amine (CID 89331133) is 3-propan-2-yl-2,5-dihydropyrrol-1-amine.
What is the SMILES notation for 3-propan-2-yl-2,5-dihydropyrrol-1-amine?
The canonical SMILES for 3-propan-2-yl-2,5-dihydropyrrol-1-amine is CC(C)C1=CCN(N)C1.
What is the InChIKey of 3-propan-2-yl-2,5-dihydropyrrol-1-amine?
The InChIKey is KGOQAXUMACDHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7-3-4-9(8)5-7/h3,6H,4-5,8H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,5-dihydropyrrol-1-amine?
3-propan-2-yl-2,5-dihydropyrrol-1-amine has a molecular weight of 126.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,5-dihydropyrrol-1-amine is sourced from PubChem (CID 89331133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).