2-(1-amino-2,2-dimethylpropylidene)propanedinitrile

C8H11N3 — CID 10236016

IUPAC2-(1-amino-2,2-dimethylpropylidene)propanedinitrile
SMILESCC(C)(C)C(N)=C(C#N)C#N
InChIInChI=1S/C8H11N3/c1-8(2,3)7(11)6(4-9)5-10/h11H2,1-3H3
InChIKeyOOANNPDXEPQATR-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.29
Rot. Bonds

About 2-(1-amino-2,2-dimethylpropylidene)propanedinitrile

2-(1-amino-2,2-dimethylpropylidene)propanedinitrile (PubChem CID 10236016) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-(1-amino-2,2-dimethylpropylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1-amino-2,2-dimethylpropylidene)propanedinitrile
PubChem CID10236016
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-(1-amino-2,2-dimethylpropylidene)propanedinitrile
SMILESCC(C)(C)C(N)=C(C#N)C#N
InChIInChI=1S/C8H11N3/c1-8(2,3)7(11)6(4-9)5-10/h11H2,1-3H3
InChIKeyOOANNPDXEPQATR-UHFFFAOYSA-N
XLogP1.29
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.29
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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Related Compounds

(E)-3-amino-2-(3,5-dimethylphenyl)-4,4-dimethylpent-2-enenitrile
CID 59073017
2,2,4,5,5-pentamethylhex-3-en-3-amine
CID 162278721
2-(1-methoxy-2,2-dimethylpropylidene)propanedinitrile
CID 54429508
ethane;2-hydroxy-2-methylpropanenitrile
CID 164588960
N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide
CID 130693138
2-[amino(methoxy)methylidene]propanedinitrile
CID 3661155
2-(1-amino-2-methylpropylidene)propanedinitrile
CID 21426735
3,3-dimethyl-2-(sulfanylidenemethylidene)butanenitrile
CID 12552724
disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride
CID 173344541
disodium;ethene-1,1,2,2-tetracarbonitrile;hydride
CID 173357424
CID 131868800
CID 131868800
2-(1-aminoprop-2-enylidene)propanedinitrile
CID 18620400

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2-dimethylpropylidene)propanedinitrile?
The IUPAC name of 2-(1-amino-2,2-dimethylpropylidene)propanedinitrile (CID 10236016) is 2-(1-amino-2,2-dimethylpropylidene)propanedinitrile.
What is the SMILES notation for 2-(1-amino-2,2-dimethylpropylidene)propanedinitrile?
The canonical SMILES for 2-(1-amino-2,2-dimethylpropylidene)propanedinitrile is CC(C)(C)C(N)=C(C#N)C#N.
What is the InChIKey of 2-(1-amino-2,2-dimethylpropylidene)propanedinitrile?
The InChIKey is OOANNPDXEPQATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-8(2,3)7(11)6(4-9)5-10/h11H2,1-3H3.
What are the key properties of 2-(1-amino-2,2-dimethylpropylidene)propanedinitrile?
2-(1-amino-2,2-dimethylpropylidene)propanedinitrile has a molecular weight of 149.20 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2-dimethylpropylidene)propanedinitrile is sourced from PubChem (CID 10236016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).