6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide

C15H21N3O — CID 65292791

IUPAC6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H21N3O/c1-15(2,9-10-16)8-7-14(19)18-13-6-4-3-5-12(13)11-17/h3-6H,7-10,16H2,1-2H3,(H,18,19)
InChIKeyVFFXHTYIJJJREV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.65
Rot. Bonds6

About 6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide

6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide (PubChem CID 65292791) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide
PubChem CID65292791
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H21N3O/c1-15(2,9-10-16)8-7-14(19)18-13-6-4-3-5-12(13)11-17/h3-6H,7-10,16H2,1-2H3,(H,18,19)
InChIKeyVFFXHTYIJJJREV-UHFFFAOYSA-N
XLogP2.65
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide
CID 65290889
2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid
CID 65291915
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
2-[[3-(2-cyanoanilino)-3-oxopropyl]amino]-2-methylpropanoic acid
CID 65263681
3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide
CID 109038248
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide
CID 79664547
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
CID 82015813
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide (CID 65292791) is 6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide is CC(C)(CCN)CCC(=O)Nc1ccccc1C#N.
What is the InChIKey of 6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide?
The InChIKey is VFFXHTYIJJJREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,9-10-16)8-7-14(19)18-13-6-4-3-5-12(13)11-17/h3-6H,7-10,16H2,1-2H3,(H,18,19).
What are the key properties of 6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide?
6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide has a molecular weight of 259.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide is sourced from PubChem (CID 65292791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).