2-(3-methylimidazol-4-yl)cyclopropan-1-amine

C7H11N3 — CID 66119241

IUPAC2-(3-methylimidazol-4-yl)cyclopropan-1-amine
SMILESCn1cncc1C1CC1N
InChIInChI=1S/C7H11N3/c1-10-4-9-3-7(10)5-2-6(5)8/h3-6H,2,8H2,1H3
InChIKeyOUDIBYCCQHARGQ-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.23
Rot. Bonds1

About 2-(3-methylimidazol-4-yl)cyclopropan-1-amine

2-(3-methylimidazol-4-yl)cyclopropan-1-amine (PubChem CID 66119241) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)cyclopropan-1-amine
PubChem CID66119241
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-(3-methylimidazol-4-yl)cyclopropan-1-amine
SMILESCn1cncc1C1CC1N
InChIInChI=1S/C7H11N3/c1-10-4-9-3-7(10)5-2-6(5)8/h3-6H,2,8H2,1H3
InChIKeyOUDIBYCCQHARGQ-UHFFFAOYSA-N
XLogP0.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylhistamine
CID 3614
3-Methylhistamine
CID 69520
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Vuf-5296
CID 10103168
alpha-methylhistamine, (R)-
CID 156615
(1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine
CID 9972056
2-[2-(1H-Imidazol-4-yl)-cyclopropyl]-ethylamine
CID 10154137
Vuf-5297
CID 10374457
rac-1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]methanamine
CID 11094685
2-((1R,2R)-2-(1H-Imidazol-5-yl)cyclopropyl)ethanamine
CID 11829635
1H-Imidazole-5-propanamine
CID 170389
2-(1h-Imidazol-4-yl)propan-1-amine
CID 565544

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)cyclopropan-1-amine?
The IUPAC name of 2-(3-methylimidazol-4-yl)cyclopropan-1-amine (CID 66119241) is 2-(3-methylimidazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)cyclopropan-1-amine is Cn1cncc1C1CC1N.
What is the InChIKey of 2-(3-methylimidazol-4-yl)cyclopropan-1-amine?
The InChIKey is OUDIBYCCQHARGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-10-4-9-3-7(10)5-2-6(5)8/h3-6H,2,8H2,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)cyclopropan-1-amine?
2-(3-methylimidazol-4-yl)cyclopropan-1-amine has a molecular weight of 137.19 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 66119241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).