1-(2-methylpropyl)imidazol-4-amine;hydrochloride

C7H14ClN3 — CID 86276624

IUPAC1-(2-methylpropyl)imidazol-4-amine;hydrochloride
SMILESCC(C)Cn1cnc(N)c1.Cl
InChIInChI=1S/C7H13N3.ClH/c1-6(2)3-10-4-7(8)9-5-10;/h4-6H,3,8H2,1-2H3;1H
InChIKeyCOSOHSWJRMXVDC-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.54
Rot. Bonds2

About 1-(2-methylpropyl)imidazol-4-amine;hydrochloride

1-(2-methylpropyl)imidazol-4-amine;hydrochloride (PubChem CID 86276624) has the molecular formula C7H14ClN3 and a molecular weight of 175.66 g/mol. Its IUPAC name is 1-(2-methylpropyl)imidazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-methylpropyl)imidazol-4-amine;hydrochloride
PubChem CID86276624
Molecular FormulaC7H14ClN3
Molecular Weight175.66 g/mol
Exact Mass175.09
IUPAC Name1-(2-methylpropyl)imidazol-4-amine;hydrochloride
SMILESCC(C)Cn1cnc(N)c1.Cl
InChIInChI=1S/C7H13N3.ClH/c1-6(2)3-10-4-7(8)9-5-10;/h4-6H,3,8H2,1-2H3;1H
InChIKeyCOSOHSWJRMXVDC-UHFFFAOYSA-N
XLogP1.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)imidazol-4-amine;hydrochloride?
The IUPAC name of 1-(2-methylpropyl)imidazol-4-amine;hydrochloride (CID 86276624) is 1-(2-methylpropyl)imidazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-methylpropyl)imidazol-4-amine;hydrochloride?
The canonical SMILES for 1-(2-methylpropyl)imidazol-4-amine;hydrochloride is CC(C)Cn1cnc(N)c1.Cl.
What is the InChIKey of 1-(2-methylpropyl)imidazol-4-amine;hydrochloride?
The InChIKey is COSOHSWJRMXVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.ClH/c1-6(2)3-10-4-7(8)9-5-10;/h4-6H,3,8H2,1-2H3;1H.
What are the key properties of 1-(2-methylpropyl)imidazol-4-amine;hydrochloride?
1-(2-methylpropyl)imidazol-4-amine;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)imidazol-4-amine;hydrochloride is sourced from PubChem (CID 86276624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).