2,4-dicyano-3,3-dimethylpentanediamide

C9H12N4O2 — CID 4230422

IUPAC2,4-dicyano-3,3-dimethylpentanediamide
SMILESCC(C)(C(C#N)C(N)=O)C(C#N)C(N)=O
InChIInChI=1S/C9H12N4O2/c1-9(2,5(3-10)7(12)14)6(4-11)8(13)15/h5-6H,1-2H3,(H2,12,14)(H2,13,15)
InChIKeyKALBESCCXVZJEI-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.74
Rot. Bonds4

About 2,4-dicyano-3,3-dimethylpentanediamide

2,4-dicyano-3,3-dimethylpentanediamide (PubChem CID 4230422) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2,4-dicyano-3,3-dimethylpentanediamide.

Molecular Properties

Compound Name2,4-dicyano-3,3-dimethylpentanediamide
PubChem CID4230422
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2,4-dicyano-3,3-dimethylpentanediamide
SMILESCC(C)(C(C#N)C(N)=O)C(C#N)C(N)=O
InChIInChI=1S/C9H12N4O2/c1-9(2,5(3-10)7(12)14)6(4-11)8(13)15/h5-6H,1-2H3,(H2,12,14)(H2,13,15)
InChIKeyKALBESCCXVZJEI-UHFFFAOYSA-N
XLogP-0.74
TPSA133.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-3-hydroxy-3-methylpentanediamide
CID 54050427
(2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide
CID 55284755
2-cyano-2-(dimethylamino)acetamide
CID 87781321
2-cyano-2-methylsulfonylacetamide
CID 71352728
2-methyl-2-propan-2-ylpropanediamide
CID 45122126
ethyl 2-cyano-3,3-dimethylpentanoate
CID 15446073
ethyl 2-cyano-3,3-dimethylpent-4-ynoate
CID 14985551
dipropan-2-yl 2,3-dicyano-2-methylbutanedioate
CID 174664908
2-cyano-3-oxopentanamide
CID 174475780
2-cyano-N,N,3,3-tetramethylbutanethioamide
CID 12552729
(2S)-2-acetamido-2-cyanoacetamide
CID 728882
2,4-dicyano-3-ethylpentanediamide
CID 10013275

Frequently Asked Questions

What is the IUPAC name of 2,4-dicyano-3,3-dimethylpentanediamide?
The IUPAC name of 2,4-dicyano-3,3-dimethylpentanediamide (CID 4230422) is 2,4-dicyano-3,3-dimethylpentanediamide.
What is the SMILES notation for 2,4-dicyano-3,3-dimethylpentanediamide?
The canonical SMILES for 2,4-dicyano-3,3-dimethylpentanediamide is CC(C)(C(C#N)C(N)=O)C(C#N)C(N)=O.
What is the InChIKey of 2,4-dicyano-3,3-dimethylpentanediamide?
The InChIKey is KALBESCCXVZJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-9(2,5(3-10)7(12)14)6(4-11)8(13)15/h5-6H,1-2H3,(H2,12,14)(H2,13,15).
What are the key properties of 2,4-dicyano-3,3-dimethylpentanediamide?
2,4-dicyano-3,3-dimethylpentanediamide has a molecular weight of 208.22 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicyano-3,3-dimethylpentanediamide is sourced from PubChem (CID 4230422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).