1-methylimidazole;propan-1-amine;hydrobromide

C7H16BrN3 — CID 175425502

IUPAC1-methylimidazole;propan-1-amine;hydrobromide
SMILESBr.CCCN.Cn1ccnc1
InChIInChI=1S/C4H6N2.C3H9N.BrH/c1-6-3-2-5-4-6;1-2-3-4;/h2-4H,1H3;2-4H2,1H3;1H
InChIKeyWFGLJGSLRGIUQG-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.35
Rot. Bonds1

About 1-methylimidazole;propan-1-amine;hydrobromide

1-methylimidazole;propan-1-amine;hydrobromide (PubChem CID 175425502) has the molecular formula C7H16BrN3 and a molecular weight of 222.13 g/mol. Its IUPAC name is 1-methylimidazole;propan-1-amine;hydrobromide.

Molecular Properties

Compound Name1-methylimidazole;propan-1-amine;hydrobromide
PubChem CID175425502
Molecular FormulaC7H16BrN3
Molecular Weight222.13 g/mol
Exact Mass221.05
IUPAC Name1-methylimidazole;propan-1-amine;hydrobromide
SMILESBr.CCCN.Cn1ccnc1
InChIInChI=1S/C4H6N2.C3H9N.BrH/c1-6-3-2-5-4-6;1-2-3-4;/h2-4H,1H3;2-4H2,1H3;1H
InChIKeyWFGLJGSLRGIUQG-UHFFFAOYSA-N
XLogP1.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;propan-1-amine;hydrobromide?
The IUPAC name of 1-methylimidazole;propan-1-amine;hydrobromide (CID 175425502) is 1-methylimidazole;propan-1-amine;hydrobromide.
What is the SMILES notation for 1-methylimidazole;propan-1-amine;hydrobromide?
The canonical SMILES for 1-methylimidazole;propan-1-amine;hydrobromide is Br.CCCN.Cn1ccnc1.
What is the InChIKey of 1-methylimidazole;propan-1-amine;hydrobromide?
The InChIKey is WFGLJGSLRGIUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C3H9N.BrH/c1-6-3-2-5-4-6;1-2-3-4;/h2-4H,1H3;2-4H2,1H3;1H.
What are the key properties of 1-methylimidazole;propan-1-amine;hydrobromide?
1-methylimidazole;propan-1-amine;hydrobromide has a molecular weight of 222.13 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;propan-1-amine;hydrobromide is sourced from PubChem (CID 175425502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).