1-methylpyrrol-3-amine

C5H8N2 — CID 12532405

IUPAC1-methylpyrrol-3-amine
SMILESCn1ccc(N)c1
InChIInChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3
InChIKeyGDQSDZRZHLAVCU-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.61
Rot. Bonds

About 1-methylpyrrol-3-amine

1-methylpyrrol-3-amine (PubChem CID 12532405) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 1-methylpyrrol-3-amine.

Molecular Properties

Compound Name1-methylpyrrol-3-amine
PubChem CID12532405
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name1-methylpyrrol-3-amine
SMILESCn1ccc(N)c1
InChIInChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3
InChIKeyGDQSDZRZHLAVCU-UHFFFAOYSA-N
XLogP0.61
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methylpyrrol-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-Ethylpyrrole
CID 185226
2-(1H-pyrrol-1-yl)ethan-1-amine
CID 2763816
N,N-dimethyl-2-pyrrol-1-ylethanamine
CID 43394750
3-(1H-pyrrol-1-yl)propan-1-amine
CID 4585582
Solsodomine B
CID 10654640
1H-Pyrrole, 1-propyl-
CID 521329
4-(1H-pyrrol-1-yl)butan-1-amine
CID 24265151
(1-methyl-1H-pyrrol-3-yl)methanamine
CID 55254375
methyl(2-(1H-pyrrol-1-yl)ethyl)amine
CID 59730499
(1-ethyl-1H-pyrrol-3-yl)methanamine
CID 66407752
1-methyl-4-pyrrol-1-yl-3,6-dihydro-2H-pyridine
CID 10634554
N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide
CID 44575445

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrol-3-amine?
The IUPAC name of 1-methylpyrrol-3-amine (CID 12532405) is 1-methylpyrrol-3-amine.
What is the SMILES notation for 1-methylpyrrol-3-amine?
The canonical SMILES for 1-methylpyrrol-3-amine is Cn1ccc(N)c1.
What is the InChIKey of 1-methylpyrrol-3-amine?
The InChIKey is GDQSDZRZHLAVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3.
What are the key properties of 1-methylpyrrol-3-amine?
1-methylpyrrol-3-amine has a molecular weight of 96.13 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrol-3-amine is sourced from PubChem (CID 12532405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).