3-methylbutane-1,2-diamine;dihydrochloride

C5H16Cl2N2 — CID 54592856

IUPAC3-methylbutane-1,2-diamine;dihydrochloride
SMILESCC(C)C(N)CN.Cl.Cl
InChIInChI=1S/C5H14N2.2ClH/c1-4(2)5(7)3-6;;/h4-5H,3,6-7H2,1-2H3;2*1H
InChIKeyDYPOEEJDEYWPAI-UHFFFAOYSA-N
MW175.10 g/mol
LogP0.77
Rot. Bonds2

About 3-methylbutane-1,2-diamine;dihydrochloride

3-methylbutane-1,2-diamine;dihydrochloride (PubChem CID 54592856) has the molecular formula C5H16Cl2N2 and a molecular weight of 175.10 g/mol. Its IUPAC name is 3-methylbutane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name3-methylbutane-1,2-diamine;dihydrochloride
PubChem CID54592856
Molecular FormulaC5H16Cl2N2
Molecular Weight175.10 g/mol
Exact Mass174.07
IUPAC Name3-methylbutane-1,2-diamine;dihydrochloride
SMILESCC(C)C(N)CN.Cl.Cl
InChIInChI=1S/C5H14N2.2ClH/c1-4(2)5(7)3-6;;/h4-5H,3,6-7H2,1-2H3;2*1H
InChIKeyDYPOEEJDEYWPAI-UHFFFAOYSA-N
XLogP0.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methylbutane-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 3-methylbutane-1,2-diamine;dihydrochloride?
The IUPAC name of 3-methylbutane-1,2-diamine;dihydrochloride (CID 54592856) is 3-methylbutane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 3-methylbutane-1,2-diamine;dihydrochloride?
The canonical SMILES for 3-methylbutane-1,2-diamine;dihydrochloride is CC(C)C(N)CN.Cl.Cl.
What is the InChIKey of 3-methylbutane-1,2-diamine;dihydrochloride?
The InChIKey is DYPOEEJDEYWPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.2ClH/c1-4(2)5(7)3-6;;/h4-5H,3,6-7H2,1-2H3;2*1H.
What are the key properties of 3-methylbutane-1,2-diamine;dihydrochloride?
3-methylbutane-1,2-diamine;dihydrochloride has a molecular weight of 175.10 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 54592856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).