(2,3-dimethylimidazol-4-yl)methanamine

C6H11N3 — CID 13062778

IUPAC(2,3-dimethylimidazol-4-yl)methanamine
SMILESCc1ncc(CN)n1C
InChIInChI=1S/C6H11N3/c1-5-8-4-6(3-7)9(5)2/h4H,3,7H2,1-2H3
InChIKeyYGAHXOAPDMHPMD-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.19
Rot. Bonds1

About (2,3-dimethylimidazol-4-yl)methanamine

(2,3-dimethylimidazol-4-yl)methanamine (PubChem CID 13062778) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)methanamine
PubChem CID13062778
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(2,3-dimethylimidazol-4-yl)methanamine
SMILESCc1ncc(CN)n1C
InChIInChI=1S/C6H11N3/c1-5-8-4-6(3-7)9(5)2/h4H,3,7H2,1-2H3
InChIKeyYGAHXOAPDMHPMD-UHFFFAOYSA-N
XLogP0.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylhistamine
CID 3614
2-Ethyl-4-methylimidazole
CID 70262
3-Methylhistamine
CID 69520
2,4-Dimethylimidazole
CID 70259
1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
1-Methylhistamine dihydrochloride
CID 11957601
1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
CID 90327
N-ethylhistamine
CID 44292270
2-(1-Methyl-1H-imidazol-4-yl)ethanamine hydrochloride
CID 16219661
2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine
CID 585835
N(tele)-methylhistaminium
CID 25245502

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)methanamine?
The IUPAC name of (2,3-dimethylimidazol-4-yl)methanamine (CID 13062778) is (2,3-dimethylimidazol-4-yl)methanamine.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)methanamine?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)methanamine is Cc1ncc(CN)n1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)methanamine?
The InChIKey is YGAHXOAPDMHPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5-8-4-6(3-7)9(5)2/h4H,3,7H2,1-2H3.
What are the key properties of (2,3-dimethylimidazol-4-yl)methanamine?
(2,3-dimethylimidazol-4-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)methanamine is sourced from PubChem (CID 13062778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).