3,3-dimethylbutane-1,2-diamine;dihydrochloride

C6H18Cl2N2 — CID 90485514

IUPAC3,3-dimethylbutane-1,2-diamine;dihydrochloride
SMILESCC(C)(C)C(N)CN.Cl.Cl
InChIInChI=1S/C6H16N2.2ClH/c1-6(2,3)5(8)4-7;;/h5H,4,7-8H2,1-3H3;2*1H
InChIKeyWDLJTXKKEVFFDB-UHFFFAOYSA-N
MW189.13 g/mol
LogP1.16
Rot. Bonds1

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

3,3-dimethylbutane-1,2-diamine;dihydrochloride (PubChem CID 90485514) has the molecular formula C6H18Cl2N2 and a molecular weight of 189.13 g/mol. Its IUPAC name is 3,3-dimethylbutane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name3,3-dimethylbutane-1,2-diamine;dihydrochloride
PubChem CID90485514
Molecular FormulaC6H18Cl2N2
Molecular Weight189.13 g/mol
Exact Mass188.08
IUPAC Name3,3-dimethylbutane-1,2-diamine;dihydrochloride
SMILESCC(C)(C)C(N)CN.Cl.Cl
InChIInChI=1S/C6H16N2.2ClH/c1-6(2,3)5(8)4-7;;/h5H,4,7-8H2,1-3H3;2*1H
InChIKeyWDLJTXKKEVFFDB-UHFFFAOYSA-N
XLogP1.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutane-1,2-diamine;dihydrochloride?
The IUPAC name of 3,3-dimethylbutane-1,2-diamine;dihydrochloride (CID 90485514) is 3,3-dimethylbutane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 3,3-dimethylbutane-1,2-diamine;dihydrochloride?
The canonical SMILES for 3,3-dimethylbutane-1,2-diamine;dihydrochloride is CC(C)(C)C(N)CN.Cl.Cl.
What is the InChIKey of 3,3-dimethylbutane-1,2-diamine;dihydrochloride?
The InChIKey is WDLJTXKKEVFFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2ClH/c1-6(2,3)5(8)4-7;;/h5H,4,7-8H2,1-3H3;2*1H.
What are the key properties of 3,3-dimethylbutane-1,2-diamine;dihydrochloride?
3,3-dimethylbutane-1,2-diamine;dihydrochloride has a molecular weight of 189.13 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 90485514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).