[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine

C11H16N4 — CID 114528915

IUPAC[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine
SMILESCn1ccnc1CCn1ccc(CN)c1
InChIInChI=1S/C11H16N4/c1-14-7-4-13-11(14)3-6-15-5-2-10(8-12)9-15/h2,4-5,7,9H,3,6,8,12H2,1H3
InChIKeyJZAKJNSKFLHTGT-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.92
Rot. Bonds4

About [1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine

[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine (PubChem CID 114528915) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is [1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine
PubChem CID114528915
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine
SMILESCn1ccnc1CCn1ccc(CN)c1
InChIInChI=1S/C11H16N4/c1-14-7-4-13-11(14)3-6-15-5-2-10(8-12)9-15/h2,4-5,7,9H,3,6,8,12H2,1H3
InChIKeyJZAKJNSKFLHTGT-UHFFFAOYSA-N
XLogP0.92
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-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

2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 114528934
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527344
[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 114531647
methanamine;1-methyl-2-propylimidazole
CID 164902083
[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114526998
1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine
CID 114527828
azane;1-methyl-2-propylimidazole
CID 174525892
[3,5-dimethoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114527174
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine
CID 66409935

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine?
The IUPAC name of [1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine (CID 114528915) is [1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine?
The canonical SMILES for [1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine is Cn1ccnc1CCn1ccc(CN)c1.
What is the InChIKey of [1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine?
The InChIKey is JZAKJNSKFLHTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-14-7-4-13-11(14)3-6-15-5-2-10(8-12)9-15/h2,4-5,7,9H,3,6,8,12H2,1H3.
What are the key properties of [1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine?
[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine has a molecular weight of 204.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 114528915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).