2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide

C15H21N3O — CID 65230274

IUPAC2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
SMILESCCCC(CN)C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-3-5-14(10-17)15(19)18(2)11-13-7-4-6-12(8-13)9-16/h4,6-8,14H,3,5,10-11,17H2,1-2H3
InChIKeyHPBLPJLMMGITQX-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.89
Rot. Bonds6

About 2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide

2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide (PubChem CID 65230274) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
PubChem CID65230274
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
SMILESCCCC(CN)C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-3-5-14(10-17)15(19)18(2)11-13-7-4-6-12(8-13)9-16/h4,6-8,14H,3,5,10-11,17H2,1-2H3
InChIKeyHPBLPJLMMGITQX-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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]-N-methylhexanamide
CID 54870529
3-[(3-cyanophenyl)methyl-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897529
3-amino-4-[(3-cyanophenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64895922
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide
CID 104897437
2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide
CID 81083572
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
methyl 2-[(3-cyanophenyl)methyl-methylamino]-2-oxoacetate
CID 112617191
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
1-[(3-cyanophenyl)methyl]-1-methyl-2-propylguanidine
CID 62967583
2-[(3-cyanophenyl)methyl-methylamino]propanamide
CID 47170731

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide (CID 65230274) is 2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide is CCCC(CN)C(=O)N(C)Cc1cccc(C#N)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide?
The InChIKey is HPBLPJLMMGITQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-5-14(10-17)15(19)18(2)11-13-7-4-6-12(8-13)9-16/h4,6-8,14H,3,5,10-11,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide?
2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide has a molecular weight of 259.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 65230274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).