propane-1,1-diamine;dihydrochloride

C3H12Cl2N2 — CID 22219106

IUPACpropane-1,1-diamine;dihydrochloride
SMILESCCC(N)N.Cl.Cl
InChIInChI=1S/C3H10N2.2ClH/c1-2-3(4)5;;/h3H,2,4-5H2,1H3;2*1H
InChIKeyBIDXGEXQRVWXMY-UHFFFAOYSA-N
MW147.05 g/mol
LogP0.48
Rot. Bonds1

About propane-1,1-diamine;dihydrochloride

propane-1,1-diamine;dihydrochloride (PubChem CID 22219106) has the molecular formula C3H12Cl2N2 and a molecular weight of 147.05 g/mol. Its IUPAC name is propane-1,1-diamine;dihydrochloride.

Molecular Properties

Compound Namepropane-1,1-diamine;dihydrochloride
PubChem CID22219106
Molecular FormulaC3H12Cl2N2
Molecular Weight147.05 g/mol
Exact Mass146.04
IUPAC Namepropane-1,1-diamine;dihydrochloride
SMILESCCC(N)N.Cl.Cl
InChIInChI=1S/C3H10N2.2ClH/c1-2-3(4)5;;/h3H,2,4-5H2,1H3;2*1H
InChIKeyBIDXGEXQRVWXMY-UHFFFAOYSA-N
XLogP0.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.05
LogP ≤ 50.48
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;dihydrochloride?
The IUPAC name of propane-1,1-diamine;dihydrochloride (CID 22219106) is propane-1,1-diamine;dihydrochloride.
What is the SMILES notation for propane-1,1-diamine;dihydrochloride?
The canonical SMILES for propane-1,1-diamine;dihydrochloride is CCC(N)N.Cl.Cl.
What is the InChIKey of propane-1,1-diamine;dihydrochloride?
The InChIKey is BIDXGEXQRVWXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.2ClH/c1-2-3(4)5;;/h3H,2,4-5H2,1H3;2*1H.
What are the key properties of propane-1,1-diamine;dihydrochloride?
propane-1,1-diamine;dihydrochloride has a molecular weight of 147.05 g/mol, XLogP of 0.48, 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;dihydrochloride is sourced from PubChem (CID 22219106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).