N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride

C6H13Cl2N3 — CID 53398821

IUPACN-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride
SMILESCNCc1ncc(C)[nH]1.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5-3-8-6(9-5)4-7-2;;/h3,7H,4H2,1-2H3,(H,8,9);2*1H
InChIKeyPNEAAPUPUDIJKF-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.28
Rot. Bonds2

About N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride

N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride (PubChem CID 53398821) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride
PubChem CID53398821
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC NameN-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride
SMILESCNCc1ncc(C)[nH]1.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5-3-8-6(9-5)4-7-2;;/h3,7H,4H2,1-2H3,(H,8,9);2*1H
InChIKeyPNEAAPUPUDIJKF-UHFFFAOYSA-N
XLogP1.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Histamine
CID 774
4-Methylimidazole
CID 13195
Histamine Dihydrochloride
CID 5818
2-Ethyl-4-methylimidazole
CID 70262
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
2-Ethylimidazole
CID 66130
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
2,4-Dimethylimidazole
CID 70259
2-Methylhistamine
CID 91613
2-(1h-Imidazol-4-yl)propan-1-amine
CID 565544

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride?
The IUPAC name of N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride (CID 53398821) is N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride is CNCc1ncc(C)[nH]1.Cl.Cl.
What is the InChIKey of N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride?
The InChIKey is PNEAAPUPUDIJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c1-5-3-8-6(9-5)4-7-2;;/h3,7H,4H2,1-2H3,(H,8,9);2*1H.
What are the key properties of N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride?
N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 53398821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).