2-methylbutane-2,3-diamine;dihydrochloride

C5H16Cl2N2 — CID 22666461

IUPAC2-methylbutane-2,3-diamine;dihydrochloride
SMILESCC(N)C(C)(C)N.Cl.Cl
InChIInChI=1S/C5H14N2.2ClH/c1-4(6)5(2,3)7;;/h4H,6-7H2,1-3H3;2*1H
InChIKeyOMKOFAHVZIXFEA-UHFFFAOYSA-N
MW175.10 g/mol
LogP0.91
Rot. Bonds1

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

2-methylbutane-2,3-diamine;dihydrochloride (PubChem CID 22666461) has the molecular formula C5H16Cl2N2 and a molecular weight of 175.10 g/mol. Its IUPAC name is 2-methylbutane-2,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-methylbutane-2,3-diamine;dihydrochloride
PubChem CID22666461
Molecular FormulaC5H16Cl2N2
Molecular Weight175.10 g/mol
Exact Mass174.07
IUPAC Name2-methylbutane-2,3-diamine;dihydrochloride
SMILESCC(N)C(C)(C)N.Cl.Cl
InChIInChI=1S/C5H14N2.2ClH/c1-4(6)5(2,3)7;;/h4H,6-7H2,1-3H3;2*1H
InChIKeyOMKOFAHVZIXFEA-UHFFFAOYSA-N
XLogP0.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutane-2,3-diamine;dihydrochloride?
The IUPAC name of 2-methylbutane-2,3-diamine;dihydrochloride (CID 22666461) is 2-methylbutane-2,3-diamine;dihydrochloride.
What is the SMILES notation for 2-methylbutane-2,3-diamine;dihydrochloride?
The canonical SMILES for 2-methylbutane-2,3-diamine;dihydrochloride is CC(N)C(C)(C)N.Cl.Cl.
What is the InChIKey of 2-methylbutane-2,3-diamine;dihydrochloride?
The InChIKey is OMKOFAHVZIXFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.2ClH/c1-4(6)5(2,3)7;;/h4H,6-7H2,1-3H3;2*1H.
What are the key properties of 2-methylbutane-2,3-diamine;dihydrochloride?
2-methylbutane-2,3-diamine;dihydrochloride has a molecular weight of 175.10 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane-2,3-diamine;dihydrochloride is sourced from PubChem (CID 22666461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).