propan-1-amine;hydrochloride

C3H10ClN — CID 11165

IUPACpropan-1-amine;hydrochloride
SMILESCCCN.Cl
InChIInChI=1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H
InChIKeyPYNUOAIJIQGACY-UHFFFAOYSA-N
MW95.57 g/mol
LogP0.78
Rot. Bonds1

About propan-1-amine;hydrochloride

propan-1-amine;hydrochloride (PubChem CID 11165) has the molecular formula C3H10ClN and a molecular weight of 95.57 g/mol. Its IUPAC name is propan-1-amine;hydrochloride.

Molecular Properties

Compound Namepropan-1-amine;hydrochloride
PubChem CID11165
Molecular FormulaC3H10ClN
Molecular Weight95.57 g/mol
Exact Mass95.05
IUPAC Namepropan-1-amine;hydrochloride
SMILESCCCN.Cl
InChIInChI=1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H
InChIKeyPYNUOAIJIQGACY-UHFFFAOYSA-N
XLogP0.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.57
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propan-1-amine;hydrochloride?
The IUPAC name of propan-1-amine;hydrochloride (CID 11165) is propan-1-amine;hydrochloride.
What is the SMILES notation for propan-1-amine;hydrochloride?
The canonical SMILES for propan-1-amine;hydrochloride is CCCN.Cl.
What is the InChIKey of propan-1-amine;hydrochloride?
The InChIKey is PYNUOAIJIQGACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H.
What are the key properties of propan-1-amine;hydrochloride?
propan-1-amine;hydrochloride has a molecular weight of 95.57 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-amine;hydrochloride is sourced from PubChem (CID 11165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).