(2,5-dimethyl-1H-imidazol-4-yl)methanamine

C6H11N3 — CID 82373820

IUPAC(2,5-dimethyl-1H-imidazol-4-yl)methanamine
SMILESCc1nc(CN)c(C)[nH]1
InChIInChI=1S/C6H11N3/c1-4-6(3-7)9-5(2)8-4/h3,7H2,1-2H3,(H,8,9)
InChIKeyGEZOFSFHYQGWNK-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.49
Rot. Bonds1

About (2,5-dimethyl-1H-imidazol-4-yl)methanamine

(2,5-dimethyl-1H-imidazol-4-yl)methanamine (PubChem CID 82373820) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (2,5-dimethyl-1H-imidazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethyl-1H-imidazol-4-yl)methanamine
PubChem CID82373820
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(2,5-dimethyl-1H-imidazol-4-yl)methanamine
SMILESCc1nc(CN)c(C)[nH]1
InChIInChI=1S/C6H11N3/c1-4-6(3-7)9-5(2)8-4/h3,7H2,1-2H3,(H,8,9)
InChIKeyGEZOFSFHYQGWNK-UHFFFAOYSA-N
XLogP0.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Trimethylimidazole
CID 69976
4,5-Dimethyl-1H-imidazol-2-amine
CID 12485920
5-iodo-2,4-dimethyl-1H-imidazole
CID 613638
2,4,5-trimethyl-1H-imidazole hydrochloride
CID 67901281
6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
CID 135939021
4,5-dimethyl-1H-imidazole-2-carbonitrile
CID 19427257
(5-methyl-1H-imidazol-4-yl)methanamine dihydrochloride
CID 20393968
(4,5-dimethyl-1H-imidazol-2-yl)methanamine dihydrochloride
CID 67007045
4,5-dimethyl-1H-imidazol-2-amine hydrochloride
CID 73554211
2-Amino-8-propyl-3,7-dihydropurine-6-thione
CID 3923645
Imidazole, 2,5-dimethyl-4-trifluoromethyl-
CID 596410
Imidazole, 4,5-dimethyl-2-trifluoromethyl-
CID 596419

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1H-imidazol-4-yl)methanamine?
The IUPAC name of (2,5-dimethyl-1H-imidazol-4-yl)methanamine (CID 82373820) is (2,5-dimethyl-1H-imidazol-4-yl)methanamine.
What is the SMILES notation for (2,5-dimethyl-1H-imidazol-4-yl)methanamine?
The canonical SMILES for (2,5-dimethyl-1H-imidazol-4-yl)methanamine is Cc1nc(CN)c(C)[nH]1.
What is the InChIKey of (2,5-dimethyl-1H-imidazol-4-yl)methanamine?
The InChIKey is GEZOFSFHYQGWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-6(3-7)9-5(2)8-4/h3,7H2,1-2H3,(H,8,9).
What are the key properties of (2,5-dimethyl-1H-imidazol-4-yl)methanamine?
(2,5-dimethyl-1H-imidazol-4-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1H-imidazol-4-yl)methanamine is sourced from PubChem (CID 82373820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).