2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide

C15H21N3O — CID 115432690

IUPAC2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)c1ccccc1C#N
InChIInChI=1S/C15H21N3O/c1-4-15(5-2,11-17)14(19)18(3)13-9-7-6-8-12(13)10-16/h6-9H,4-5,11,17H2,1-3H3
InChIKeyQIPIXRVNXWWMQA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds5

About 2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide

2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide (PubChem CID 115432690) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide
PubChem CID115432690
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)c1ccccc1C#N
InChIInChI=1S/C15H21N3O/c1-4-15(5-2,11-17)14(19)18(3)13-9-7-6-8-12(13)10-16/h6-9H,4-5,11,17H2,1-3H3
InChIKeyQIPIXRVNXWWMQA-UHFFFAOYSA-N
XLogP2.29
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide
CID 81079299
4-amino-N-(2-cyanophenyl)-N-methylbenzamide
CID 54296865
(2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
CID 155929208
methyl 2-(2-cyano-N-methylanilino)-2-oxoacetate
CID 112617468
(2-cyanophenyl)-ethylcarbamothioic S-acid
CID 57225373
2-(N-methyl-2-propanoylanilino)benzonitrile
CID 115994661
(2S)-2-[[(2-cyanophenyl)-methylcarbamoyl]amino]pentanoic acid
CID 107567318
ethyl 2-(2-cyano-N-methylanilino)pentanoate
CID 83041345
(2R)-2-[[(2-cyanophenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103928188
2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 104551916
2-(2-cyano-N-methylanilino)pentanehydrazide
CID 83046795
N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 103841297

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide (CID 115432690) is 2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide is CCC(CC)(CN)C(=O)N(C)c1ccccc1C#N.
What is the InChIKey of 2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide?
The InChIKey is QIPIXRVNXWWMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-15(5-2,11-17)14(19)18(3)13-9-7-6-8-12(13)10-16/h6-9H,4-5,11,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide?
2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide has a molecular weight of 259.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-cyanophenyl)-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 115432690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).