2-(1-amino-2-methylpropylidene)propanedinitrile

C7H9N3 — CID 21426735

IUPAC2-(1-amino-2-methylpropylidene)propanedinitrile
SMILESCC(C)C(N)=C(C#N)C#N
InChIInChI=1S/C7H9N3/c1-5(2)7(10)6(3-8)4-9/h5H,10H2,1-2H3
InChIKeyHHHURXWIOXOWAV-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.90
Rot. Bonds1

About 2-(1-amino-2-methylpropylidene)propanedinitrile

2-(1-amino-2-methylpropylidene)propanedinitrile (PubChem CID 21426735) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1-amino-2-methylpropylidene)propanedinitrile
PubChem CID21426735
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-(1-amino-2-methylpropylidene)propanedinitrile
SMILESCC(C)C(N)=C(C#N)C#N
InChIInChI=1S/C7H9N3/c1-5(2)7(10)6(3-8)4-9/h5H,10H2,1-2H3
InChIKeyHHHURXWIOXOWAV-UHFFFAOYSA-N
XLogP0.90
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropylidene)propanedinitrile?
The IUPAC name of 2-(1-amino-2-methylpropylidene)propanedinitrile (CID 21426735) is 2-(1-amino-2-methylpropylidene)propanedinitrile.
What is the SMILES notation for 2-(1-amino-2-methylpropylidene)propanedinitrile?
The canonical SMILES for 2-(1-amino-2-methylpropylidene)propanedinitrile is CC(C)C(N)=C(C#N)C#N.
What is the InChIKey of 2-(1-amino-2-methylpropylidene)propanedinitrile?
The InChIKey is HHHURXWIOXOWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-5(2)7(10)6(3-8)4-9/h5H,10H2,1-2H3.
What are the key properties of 2-(1-amino-2-methylpropylidene)propanedinitrile?
2-(1-amino-2-methylpropylidene)propanedinitrile has a molecular weight of 135.17 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropylidene)propanedinitrile is sourced from PubChem (CID 21426735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).