2,3-diamino-2,3-dimethylbutanedinitrile

C6H10N4 — CID 550046

IUPAC2,3-diamino-2,3-dimethylbutanedinitrile
SMILESCC(N)(C#N)C(C)(N)C#N
InChIInChI=1S/C6H10N4/c1-5(9,3-7)6(2,10)4-8/h9-10H2,1-2H3
InChIKeyRKDOSJJSRLQWAT-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.53
Rot. Bonds1

About 2,3-diamino-2,3-dimethylbutanedinitrile

2,3-diamino-2,3-dimethylbutanedinitrile (PubChem CID 550046) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,3-diamino-2,3-dimethylbutanedinitrile.

Molecular Properties

Compound Name2,3-diamino-2,3-dimethylbutanedinitrile
PubChem CID550046
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name2,3-diamino-2,3-dimethylbutanedinitrile
SMILESCC(N)(C#N)C(C)(N)C#N
InChIInChI=1S/C6H10N4/c1-5(9,3-7)6(2,10)4-8/h9-10H2,1-2H3
InChIKeyRKDOSJJSRLQWAT-UHFFFAOYSA-N
XLogP-0.53
TPSA99.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-2,3-dimethylbutanedinitrile?
The IUPAC name of 2,3-diamino-2,3-dimethylbutanedinitrile (CID 550046) is 2,3-diamino-2,3-dimethylbutanedinitrile.
What is the SMILES notation for 2,3-diamino-2,3-dimethylbutanedinitrile?
The canonical SMILES for 2,3-diamino-2,3-dimethylbutanedinitrile is CC(N)(C#N)C(C)(N)C#N.
What is the InChIKey of 2,3-diamino-2,3-dimethylbutanedinitrile?
The InChIKey is RKDOSJJSRLQWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-5(9,3-7)6(2,10)4-8/h9-10H2,1-2H3.
What are the key properties of 2,3-diamino-2,3-dimethylbutanedinitrile?
2,3-diamino-2,3-dimethylbutanedinitrile has a molecular weight of 138.17 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-2,3-dimethylbutanedinitrile is sourced from PubChem (CID 550046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).