(1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride

C7H15Cl2N3 — CID 75485560

IUPAC(1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride
SMILESCc1nc(CN)n(C)c1C.Cl.Cl
InChIInChI=1S/C7H13N3.2ClH/c1-5-6(2)10(3)7(4-8)9-5;;/h4,8H2,1-3H3;2*1H
InChIKeyANKYNPCVNNJVKW-UHFFFAOYSA-N
MW212.12 g/mol
LogP1.34
Rot. Bonds1

About (1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride

(1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride (PubChem CID 75485560) has the molecular formula C7H15Cl2N3 and a molecular weight of 212.12 g/mol. Its IUPAC name is (1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride
PubChem CID75485560
Molecular FormulaC7H15Cl2N3
Molecular Weight212.12 g/mol
Exact Mass211.06
IUPAC Name(1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride
SMILESCc1nc(CN)n(C)c1C.Cl.Cl
InChIInChI=1S/C7H13N3.2ClH/c1-5-6(2)10(3)7(4-8)9-5;;/h4,8H2,1-3H3;2*1H
InChIKeyANKYNPCVNNJVKW-UHFFFAOYSA-N
XLogP1.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
4-amino-1,2-dimethyl-1H-imidazole-5-carbonitrile
CID 12239847
trimethyl-1H-imidazole-1-carbonitrile
CID 45087624
2-chloro-1,4,5-trimethyl-1H-imidazole
CID 17929113
3-(2,4,5-Trimethyl-1H-imidazol-1-yl)propan-1-amine
CID 18722289
1,4-dimethyl-1H-imidazol-5-amine
CID 45116671
2,3-dimethyl-5H,6H,7H,8H-imidazo(1,2-a)pyrazine
CID 50987626
(4,5-dimethyl-1H-imidazol-2-yl)methanamine dihydrochloride
CID 67007045
1,4-dimethyl-1H-imidazol-5-amine hydrochloride
CID 74889882
2-bromo-1,4,5-trimethyl-1H-imidazole
CID 74890576
1H-Imidazole-1-ethanamine, 4,5-dimethyl-, hydrochloride (1:2)
CID 75531085
6,8-Dimethyl-1,4-dihydroimidazo[1,5-a][1,3,5]triazin-4-amine
CID 44345364

Frequently Asked Questions

What is the IUPAC name of (1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride?
The IUPAC name of (1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride (CID 75485560) is (1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride is Cc1nc(CN)n(C)c1C.Cl.Cl.
What is the InChIKey of (1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride?
The InChIKey is ANKYNPCVNNJVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.2ClH/c1-5-6(2)10(3)7(4-8)9-5;;/h4,8H2,1-3H3;2*1H.
What are the key properties of (1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride?
(1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride has a molecular weight of 212.12 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4,5-trimethylimidazol-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 75485560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).