4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride

C8H18ClN3 — CID 174924847

IUPAC4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride
SMILESCC(N)CCN1C=CN(C)C1.Cl
InChIInChI=1S/C8H17N3.ClH/c1-8(9)3-4-11-6-5-10(2)7-11;/h5-6,8H,3-4,7,9H2,1-2H3;1H
InChIKeyVSOKWXUFEWFYNH-UHFFFAOYSA-N
MW191.71 g/mol
LogP0.82
Rot. Bonds3

About 4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride

4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride (PubChem CID 174924847) has the molecular formula C8H18ClN3 and a molecular weight of 191.71 g/mol. Its IUPAC name is 4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride
PubChem CID174924847
Molecular FormulaC8H18ClN3
Molecular Weight191.71 g/mol
Exact Mass191.12
IUPAC Name4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride
SMILESCC(N)CCN1C=CN(C)C1.Cl
InChIInChI=1S/C8H17N3.ClH/c1-8(9)3-4-11-6-5-10(2)7-11;/h5-6,8H,3-4,7,9H2,1-2H3;1H
InChIKeyVSOKWXUFEWFYNH-UHFFFAOYSA-N
XLogP0.82
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.71
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174780208
1-methyl-3-propyl-2H-imidazole;hydroiodide
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tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
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O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine
CID 123734541
ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride?
The IUPAC name of 4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride (CID 174924847) is 4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride.
What is the SMILES notation for 4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride?
The canonical SMILES for 4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride is CC(N)CCN1C=CN(C)C1.Cl.
What is the InChIKey of 4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride?
The InChIKey is VSOKWXUFEWFYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.ClH/c1-8(9)3-4-11-6-5-10(2)7-11;/h5-6,8H,3-4,7,9H2,1-2H3;1H.
What are the key properties of 4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride?
4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride has a molecular weight of 191.71 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride is sourced from PubChem (CID 174924847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).