azane;propan-1-amine;hydrochloride

C3H13ClN2 — CID 141075684

IUPACazane;propan-1-amine;hydrochloride
SMILESCCCN.Cl.N
InChIInChI=1S/C3H9N.ClH.H3N/c1-2-3-4;;/h2-4H2,1H3;1H;1H3
InChIKeyIIXOVMGAUXJQEH-UHFFFAOYSA-N
MW112.60 g/mol
LogP0.94
Rot. Bonds1

About azane;propan-1-amine;hydrochloride

azane;propan-1-amine;hydrochloride (PubChem CID 141075684) has the molecular formula C3H13ClN2 and a molecular weight of 112.60 g/mol. Its IUPAC name is azane;propan-1-amine;hydrochloride.

Molecular Properties

Compound Nameazane;propan-1-amine;hydrochloride
PubChem CID141075684
Molecular FormulaC3H13ClN2
Molecular Weight112.60 g/mol
Exact Mass112.08
IUPAC Nameazane;propan-1-amine;hydrochloride
SMILESCCCN.Cl.N
InChIInChI=1S/C3H9N.ClH.H3N/c1-2-3-4;;/h2-4H2,1H3;1H;1H3
InChIKeyIIXOVMGAUXJQEH-UHFFFAOYSA-N
XLogP0.94
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.60
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;propan-1-amine;hydrochloride?
The IUPAC name of azane;propan-1-amine;hydrochloride (CID 141075684) is azane;propan-1-amine;hydrochloride.
What is the SMILES notation for azane;propan-1-amine;hydrochloride?
The canonical SMILES for azane;propan-1-amine;hydrochloride is CCCN.Cl.N.
What is the InChIKey of azane;propan-1-amine;hydrochloride?
The InChIKey is IIXOVMGAUXJQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.ClH.H3N/c1-2-3-4;;/h2-4H2,1H3;1H;1H3.
What are the key properties of azane;propan-1-amine;hydrochloride?
azane;propan-1-amine;hydrochloride has a molecular weight of 112.60 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propan-1-amine;hydrochloride is sourced from PubChem (CID 141075684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).