(1,2,5-trimethylpyrrol-3-yl)methanamine

C8H14N2 — CID 42282040

IUPAC(1,2,5-trimethylpyrrol-3-yl)methanamine
SMILESCc1cc(CN)c(C)n1C
InChIInChI=1S/C8H14N2/c1-6-4-8(5-9)7(2)10(6)3/h4H,5,9H2,1-3H3
InChIKeyQDKVKIHUOVMMCG-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.10
Rot. Bonds1

About (1,2,5-trimethylpyrrol-3-yl)methanamine

(1,2,5-trimethylpyrrol-3-yl)methanamine (PubChem CID 42282040) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (1,2,5-trimethylpyrrol-3-yl)methanamine.

Molecular Properties

Compound Name(1,2,5-trimethylpyrrol-3-yl)methanamine
PubChem CID42282040
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(1,2,5-trimethylpyrrol-3-yl)methanamine
SMILESCc1cc(CN)c(C)n1C
InChIInChI=1S/C8H14N2/c1-6-4-8(5-9)7(2)10(6)3/h4H,5,9H2,1-3H3
InChIKeyQDKVKIHUOVMMCG-UHFFFAOYSA-N
XLogP1.10
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1,2,5-trimethylpyrrol-3-yl)methanamine 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

Nicotyrine
CID 10249
1,2,5-Trimethylpyrrole
CID 70260
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
2-(1-Pyrrolyl)benzylamine
CID 707327
1H-Pyrrole, 2,3,5-trimethyl-
CID 16620
1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazine
CID 247631
(1,5-dimethyl-1H-pyrrol-2-yl)methanamine
CID 737232
2,5-Dimethyl-1-phenethyl-1H-pyrrole
CID 2442134
1H-Pyrrole, 1-ethyl-2,5-dimethyl-
CID 78741
1-Butyl-2,5-dimethyl-1H-pyrrole
CID 527528
1-methyl-1H-pyrrole-2-ethylamine
CID 565058
1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)-
CID 98807

Frequently Asked Questions

What is the IUPAC name of (1,2,5-trimethylpyrrol-3-yl)methanamine?
The IUPAC name of (1,2,5-trimethylpyrrol-3-yl)methanamine (CID 42282040) is (1,2,5-trimethylpyrrol-3-yl)methanamine.
What is the SMILES notation for (1,2,5-trimethylpyrrol-3-yl)methanamine?
The canonical SMILES for (1,2,5-trimethylpyrrol-3-yl)methanamine is Cc1cc(CN)c(C)n1C.
What is the InChIKey of (1,2,5-trimethylpyrrol-3-yl)methanamine?
The InChIKey is QDKVKIHUOVMMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-4-8(5-9)7(2)10(6)3/h4H,5,9H2,1-3H3.
What are the key properties of (1,2,5-trimethylpyrrol-3-yl)methanamine?
(1,2,5-trimethylpyrrol-3-yl)methanamine has a molecular weight of 138.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,5-trimethylpyrrol-3-yl)methanamine is sourced from PubChem (CID 42282040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).