2-butyl-3-methylimidazol-4-amine;hydrochloride

C8H16ClN3 — CID 140989988

IUPAC2-butyl-3-methylimidazol-4-amine;hydrochloride
SMILESCCCCc1ncc(N)n1C.Cl
InChIInChI=1S/C8H15N3.ClH/c1-3-4-5-8-10-6-7(9)11(8)2;/h6H,3-5,9H2,1-2H3;1H
InChIKeyOBONTBFBPDYXOC-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.77
Rot. Bonds3

About 2-butyl-3-methylimidazol-4-amine;hydrochloride

2-butyl-3-methylimidazol-4-amine;hydrochloride (PubChem CID 140989988) has the molecular formula C8H16ClN3 and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-butyl-3-methylimidazol-4-amine;hydrochloride.

Molecular Properties

Compound Name2-butyl-3-methylimidazol-4-amine;hydrochloride
PubChem CID140989988
Molecular FormulaC8H16ClN3
Molecular Weight189.69 g/mol
Exact Mass189.10
IUPAC Name2-butyl-3-methylimidazol-4-amine;hydrochloride
SMILESCCCCc1ncc(N)n1C.Cl
InChIInChI=1S/C8H15N3.ClH/c1-3-4-5-8-10-6-7(9)11(8)2;/h6H,3-5,9H2,1-2H3;1H
InChIKeyOBONTBFBPDYXOC-UHFFFAOYSA-N
XLogP1.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methylimidazol-4-amine;hydrochloride?
The IUPAC name of 2-butyl-3-methylimidazol-4-amine;hydrochloride (CID 140989988) is 2-butyl-3-methylimidazol-4-amine;hydrochloride.
What is the SMILES notation for 2-butyl-3-methylimidazol-4-amine;hydrochloride?
The canonical SMILES for 2-butyl-3-methylimidazol-4-amine;hydrochloride is CCCCc1ncc(N)n1C.Cl.
What is the InChIKey of 2-butyl-3-methylimidazol-4-amine;hydrochloride?
The InChIKey is OBONTBFBPDYXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.ClH/c1-3-4-5-8-10-6-7(9)11(8)2;/h6H,3-5,9H2,1-2H3;1H.
What are the key properties of 2-butyl-3-methylimidazol-4-amine;hydrochloride?
2-butyl-3-methylimidazol-4-amine;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methylimidazol-4-amine;hydrochloride is sourced from PubChem (CID 140989988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).