1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride

C5H16Cl2N2 — CID 22731000

IUPAC1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride
SMILESCC(N)CN(C)C.Cl.Cl
InChIInChI=1S/C5H14N2.2ClH/c1-5(6)4-7(2)3;;/h5H,4,6H2,1-3H3;2*1H
InChIKeySXAWQXIDQGOCER-UHFFFAOYSA-N
MW175.10 g/mol
LogP0.74
Rot. Bonds2

About 1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride

1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride (PubChem CID 22731000) has the molecular formula C5H16Cl2N2 and a molecular weight of 175.10 g/mol. Its IUPAC name is 1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride
PubChem CID22731000
Molecular FormulaC5H16Cl2N2
Molecular Weight175.10 g/mol
Exact Mass174.07
IUPAC Name1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride
SMILESCC(N)CN(C)C.Cl.Cl
InChIInChI=1S/C5H14N2.2ClH/c1-5(6)4-7(2)3;;/h5H,4,6H2,1-3H3;2*1H
InChIKeySXAWQXIDQGOCER-UHFFFAOYSA-N
XLogP0.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride?
The IUPAC name of 1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride (CID 22731000) is 1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride?
The canonical SMILES for 1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride is CC(N)CN(C)C.Cl.Cl.
What is the InChIKey of 1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride?
The InChIKey is SXAWQXIDQGOCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.2ClH/c1-5(6)4-7(2)3;;/h5H,4,6H2,1-3H3;2*1H.
What are the key properties of 1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride?
1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride has a molecular weight of 175.10 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 22731000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).