2-(2-aminoethylamino)-2-methylpropanedinitrile

C6H10N4 — CID 139298489

IUPAC2-(2-aminoethylamino)-2-methylpropanedinitrile
SMILESCC(C#N)(C#N)NCCN
InChIInChI=1S/C6H10N4/c1-6(4-8,5-9)10-3-2-7/h10H,2-3,7H2,1H3
InChIKeyVJSATJTZZIIHJW-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.66
Rot. Bonds3

About 2-(2-aminoethylamino)-2-methylpropanedinitrile

2-(2-aminoethylamino)-2-methylpropanedinitrile (PubChem CID 139298489) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-2-methylpropanedinitrile.

Molecular Properties

Compound Name2-(2-aminoethylamino)-2-methylpropanedinitrile
PubChem CID139298489
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name2-(2-aminoethylamino)-2-methylpropanedinitrile
SMILESCC(C#N)(C#N)NCCN
InChIInChI=1S/C6H10N4/c1-6(4-8,5-9)10-3-2-7/h10H,2-3,7H2,1H3
InChIKeyVJSATJTZZIIHJW-UHFFFAOYSA-N
XLogP-0.66
TPSA85.63 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 ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-2-methylpropanedinitrile?
The IUPAC name of 2-(2-aminoethylamino)-2-methylpropanedinitrile (CID 139298489) is 2-(2-aminoethylamino)-2-methylpropanedinitrile.
What is the SMILES notation for 2-(2-aminoethylamino)-2-methylpropanedinitrile?
The canonical SMILES for 2-(2-aminoethylamino)-2-methylpropanedinitrile is CC(C#N)(C#N)NCCN.
What is the InChIKey of 2-(2-aminoethylamino)-2-methylpropanedinitrile?
The InChIKey is VJSATJTZZIIHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-6(4-8,5-9)10-3-2-7/h10H,2-3,7H2,1H3.
What are the key properties of 2-(2-aminoethylamino)-2-methylpropanedinitrile?
2-(2-aminoethylamino)-2-methylpropanedinitrile has a molecular weight of 138.17 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-2-methylpropanedinitrile is sourced from PubChem (CID 139298489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).