3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride

C7H15Cl2N3 — CID 13499351

IUPAC3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.Cn1cnc(CCCN)c1
InChIInChI=1S/C7H13N3.2ClH/c1-10-5-7(9-6-10)3-2-4-8;;/h5-6H,2-4,8H2,1H3;2*1H
InChIKeyOXIMTPHSXMZWAR-UHFFFAOYSA-N
MW212.12 g/mol
LogP1.15
Rot. Bonds3

About 3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride

3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride (PubChem CID 13499351) has the molecular formula C7H15Cl2N3 and a molecular weight of 212.12 g/mol. Its IUPAC name is 3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride
PubChem CID13499351
Molecular FormulaC7H15Cl2N3
Molecular Weight212.12 g/mol
Exact Mass211.06
IUPAC Name3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.Cn1cnc(CCCN)c1
InChIInChI=1S/C7H13N3.2ClH/c1-10-5-7(9-6-10)3-2-4-8;;/h5-6H,2-4,8H2,1H3;2*1H
InChIKeyOXIMTPHSXMZWAR-UHFFFAOYSA-N
XLogP1.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride (CID 13499351) is 3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride is Cl.Cl.Cn1cnc(CCCN)c1.
What is the InChIKey of 3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride?
The InChIKey is OXIMTPHSXMZWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.2ClH/c1-10-5-7(9-6-10)3-2-4-8;;/h5-6H,2-4,8H2,1H3;2*1H.
What are the key properties of 3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride?
3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride has a molecular weight of 212.12 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-4-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 13499351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).