2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide

C15H21N3O — CID 54870529

IUPAC2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide
SMILESCCCCC(N)C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-3-4-8-14(17)15(19)18(2)11-13-7-5-6-12(9-13)10-16/h5-7,9,14H,3-4,8,11,17H2,1-2H3
InChIKeySJEAUWUYTFTEMV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.03
Rot. Bonds6

About 2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide

2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide (PubChem CID 54870529) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide.

Molecular Properties

Compound Name2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide
PubChem CID54870529
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide
SMILESCCCCC(N)C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-3-4-8-14(17)15(19)18(2)11-13-7-5-6-12(9-13)10-16/h5-7,9,14H,3-4,8,11,17H2,1-2H3
InChIKeySJEAUWUYTFTEMV-UHFFFAOYSA-N
XLogP2.03
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 93370152
2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide
CID 81083572
3-amino-4-[(3-cyanophenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64895922
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963
2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 65230274
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide
CID 104897437
3-[(3-cyanophenyl)methyl-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897529
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
3-[[methyl(pentyl)amino]methyl]benzonitrile
CID 43294880
(2S)-2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpentanamide
CID 93371369
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide?
The IUPAC name of 2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide (CID 54870529) is 2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide.
What is the SMILES notation for 2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide?
The canonical SMILES for 2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide is CCCCC(N)C(=O)N(C)Cc1cccc(C#N)c1.
What is the InChIKey of 2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide?
The InChIKey is SJEAUWUYTFTEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-4-8-14(17)15(19)18(2)11-13-7-5-6-12(9-13)10-16/h5-7,9,14H,3-4,8,11,17H2,1-2H3.
What are the key properties of 2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide?
2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide has a molecular weight of 259.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide is sourced from PubChem (CID 54870529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).