N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride

C8H16ClN3 — CID 90677623

IUPACN,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride
SMILESCc1[nH]cnc1CCN(C)C.Cl
InChIInChI=1S/C8H15N3.ClH/c1-7-8(10-6-9-7)4-5-11(2)3;/h6H,4-5H2,1-3H3,(H,9,10);1H
InChIKeyHROUDEWMMXBMSD-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.24
Rot. Bonds3

About N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride

N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride (PubChem CID 90677623) has the molecular formula C8H16ClN3 and a molecular weight of 189.69 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride
PubChem CID90677623
Molecular FormulaC8H16ClN3
Molecular Weight189.69 g/mol
Exact Mass189.10
IUPAC NameN,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride
SMILESCc1[nH]cnc1CCN(C)C.Cl
InChIInChI=1S/C8H15N3.ClH/c1-7-8(10-6-9-7)4-5-11(2)3;/h6H,4-5H2,1-3H3,(H,9,10);1H
InChIKeyHROUDEWMMXBMSD-UHFFFAOYSA-N
XLogP1.24
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylhistamine
CID 37463
4-Iodohistamine
CID 610329
2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine dihydrochloride
CID 215819
4-Methylburimamide
CID 3084972
1-cyano-2-methyl-3-[4-(5-methyl-1H-imidazol-4-yl)butyl]guanidine
CID 12769844
4-Methylhistamine hydrochloride
CID 12456195
N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride
CID 90677621
5,N'-Dimethylhistamine
CID 104662
2-(5-methyl-1H-imidazol-4-yl)acetonitrile
CID 12456209
3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
CID 16418004
N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine
CID 14712111
1H-Imidazole-4-ethanamine, alpha,5-dimethyl-
CID 158290

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride (CID 90677623) is N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride is Cc1[nH]cnc1CCN(C)C.Cl.
What is the InChIKey of N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride?
The InChIKey is HROUDEWMMXBMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.ClH/c1-7-8(10-6-9-7)4-5-11(2)3;/h6H,4-5H2,1-3H3,(H,9,10);1H.
What are the key properties of N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride?
N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 90677623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).