3-imidazol-1-ylpropan-1-amine;hydrochloride

C6H12ClN3 — CID 19864194

IUPAC3-imidazol-1-ylpropan-1-amine;hydrochloride
SMILESCl.NCCCn1ccnc1
InChIInChI=1S/C6H11N3.ClH/c7-2-1-4-9-5-3-8-6-9;/h3,5-6H,1-2,4,7H2;1H
InChIKeyWMKIILMUGUFGMN-UHFFFAOYSA-N
MW161.64 g/mol
LogP0.65
Rot. Bonds3

About 3-imidazol-1-ylpropan-1-amine;hydrochloride

3-imidazol-1-ylpropan-1-amine;hydrochloride (PubChem CID 19864194) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is 3-imidazol-1-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-imidazol-1-ylpropan-1-amine;hydrochloride
PubChem CID19864194
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC Name3-imidazol-1-ylpropan-1-amine;hydrochloride
SMILESCl.NCCCn1ccnc1
InChIInChI=1S/C6H11N3.ClH/c7-2-1-4-9-5-3-8-6-9;/h3,5-6H,1-2,4,7H2;1H
InChIKeyWMKIILMUGUFGMN-UHFFFAOYSA-N
XLogP0.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.64
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2-imidazol-1-ylethoxy)propan-1-amine
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1-(3-chloropropyl)imidazole;hydrochloride
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N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
CID 107207249
chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(2-pyridin-2-ylpyridine)
CID 11585550
2-[4-(3-imidazol-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 55149857
4-imidazol-1-ylbutylhydrazine
CID 86114724
1-(2-chloroethyl)imidazole;hydrochloride
CID 2757503
7-imidazol-1-ylheptane-1-thiol
CID 156850258
sodium;1-butylimidazole;bromide
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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylpropan-1-amine;hydrochloride?
The IUPAC name of 3-imidazol-1-ylpropan-1-amine;hydrochloride (CID 19864194) is 3-imidazol-1-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-imidazol-1-ylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-imidazol-1-ylpropan-1-amine;hydrochloride is Cl.NCCCn1ccnc1.
What is the InChIKey of 3-imidazol-1-ylpropan-1-amine;hydrochloride?
The InChIKey is WMKIILMUGUFGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.ClH/c7-2-1-4-9-5-3-8-6-9;/h3,5-6H,1-2,4,7H2;1H.
What are the key properties of 3-imidazol-1-ylpropan-1-amine;hydrochloride?
3-imidazol-1-ylpropan-1-amine;hydrochloride has a molecular weight of 161.64 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 19864194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).