propane-1,1-diamine;hydrochloride

C3H11ClN2 — CID 45489853

IUPACpropane-1,1-diamine;hydrochloride
SMILESCCC(N)N.Cl
InChIInChI=1S/C3H10N2.ClH/c1-2-3(4)5;/h3H,2,4-5H2,1H3;1H
InChIKeyYIMGSQAERSJFBE-UHFFFAOYSA-N
MW110.59 g/mol
LogP0.06
Rot. Bonds1

About propane-1,1-diamine;hydrochloride

propane-1,1-diamine;hydrochloride (PubChem CID 45489853) has the molecular formula C3H11ClN2 and a molecular weight of 110.59 g/mol. Its IUPAC name is propane-1,1-diamine;hydrochloride.

Molecular Properties

Compound Namepropane-1,1-diamine;hydrochloride
PubChem CID45489853
Molecular FormulaC3H11ClN2
Molecular Weight110.59 g/mol
Exact Mass110.06
IUPAC Namepropane-1,1-diamine;hydrochloride
SMILESCCC(N)N.Cl
InChIInChI=1S/C3H10N2.ClH/c1-2-3(4)5;/h3H,2,4-5H2,1H3;1H
InChIKeyYIMGSQAERSJFBE-UHFFFAOYSA-N
XLogP0.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.59
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propane-1,1-diamine;hydrochloride?
The IUPAC name of propane-1,1-diamine;hydrochloride (CID 45489853) is propane-1,1-diamine;hydrochloride.
What is the SMILES notation for propane-1,1-diamine;hydrochloride?
The canonical SMILES for propane-1,1-diamine;hydrochloride is CCC(N)N.Cl.
What is the InChIKey of propane-1,1-diamine;hydrochloride?
The InChIKey is YIMGSQAERSJFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.ClH/c1-2-3(4)5;/h3H,2,4-5H2,1H3;1H.
What are the key properties of propane-1,1-diamine;hydrochloride?
propane-1,1-diamine;hydrochloride has a molecular weight of 110.59 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,1-diamine;hydrochloride is sourced from PubChem (CID 45489853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).