2,3-bis(methylamino)butanedinitrile

C6H10N4 — CID 550045

IUPAC2,3-bis(methylamino)butanedinitrile
SMILESCNC(C#N)C(C#N)NC
InChIInChI=1S/C6H10N4/c1-9-5(3-7)6(4-8)10-2/h5-6,9-10H,1-2H3
InChIKeyPKPMJACOBWPANN-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.79
Rot. Bonds3

About 2,3-bis(methylamino)butanedinitrile

2,3-bis(methylamino)butanedinitrile (PubChem CID 550045) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,3-bis(methylamino)butanedinitrile.

Molecular Properties

Compound Name2,3-bis(methylamino)butanedinitrile
PubChem CID550045
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name2,3-bis(methylamino)butanedinitrile
SMILESCNC(C#N)C(C#N)NC
InChIInChI=1S/C6H10N4/c1-9-5(3-7)6(4-8)10-2/h5-6,9-10H,1-2H3
InChIKeyPKPMJACOBWPANN-UHFFFAOYSA-N
XLogP-0.79
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methylamino)butanedinitrile?
The IUPAC name of 2,3-bis(methylamino)butanedinitrile (CID 550045) is 2,3-bis(methylamino)butanedinitrile.
What is the SMILES notation for 2,3-bis(methylamino)butanedinitrile?
The canonical SMILES for 2,3-bis(methylamino)butanedinitrile is CNC(C#N)C(C#N)NC.
What is the InChIKey of 2,3-bis(methylamino)butanedinitrile?
The InChIKey is PKPMJACOBWPANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-9-5(3-7)6(4-8)10-2/h5-6,9-10H,1-2H3.
What are the key properties of 2,3-bis(methylamino)butanedinitrile?
2,3-bis(methylamino)butanedinitrile has a molecular weight of 138.17 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylamino)butanedinitrile is sourced from PubChem (CID 550045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).