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

C7H14ClN3 — CID 90677621

IUPACN-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride
SMILESCNCCc1nc[nH]c1C.Cl
InChIInChI=1S/C7H13N3.ClH/c1-6-7(3-4-8-2)10-5-9-6;/h5,8H,3-4H2,1-2H3,(H,9,10);1H
InChIKeyRYWNKTFRNBRTAO-UHFFFAOYSA-N
MW175.66 g/mol
LogP0.90
Rot. Bonds3

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

N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride (PubChem CID 90677621) has the molecular formula C7H14ClN3 and a molecular weight of 175.66 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride
PubChem CID90677621
Molecular FormulaC7H14ClN3
Molecular Weight175.66 g/mol
Exact Mass175.09
IUPAC NameN-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride
SMILESCNCCc1nc[nH]c1C.Cl
InChIInChI=1S/C7H13N3.ClH/c1-6-7(3-4-8-2)10-5-9-6;/h5,8H,3-4H2,1-2H3,(H,9,10);1H
InChIKeyRYWNKTFRNBRTAO-UHFFFAOYSA-N
XLogP0.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride (CID 90677621) is N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride is CNCCc1nc[nH]c1C.Cl.
What is the InChIKey of N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride?
The InChIKey is RYWNKTFRNBRTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.ClH/c1-6-7(3-4-8-2)10-5-9-6;/h5,8H,3-4H2,1-2H3,(H,9,10);1H.
What are the key properties of N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride?
N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 90677621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).