2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide

C15H21N3O — CID 65225792

IUPAC2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide
SMILESCCCC(CN)C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-2-7-13(12-17)15(19)18(11-6-10-16)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,11-12,17H2,1H3
InChIKeyUYOYWFSKIAIONJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.31
Rot. Bonds7

About 2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide

2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide (PubChem CID 65225792) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide
PubChem CID65225792
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide
SMILESCCCC(CN)C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-2-7-13(12-17)15(19)18(11-6-10-16)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,11-12,17H2,1H3
InChIKeyUYOYWFSKIAIONJ-UHFFFAOYSA-N
XLogP2.31
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide
CID 43245519
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
N-(2-cyanoethyl)-N-phenyloctanamide
CID 43085178
N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide
CID 62679945
N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide
CID 43135930
2-[N-[2-(aminomethyl)butanoyl]anilino]acetic acid
CID 65229507
(2R)-N-benzyl-7-cyano-2-ethyl-N-phenylheptanamide
CID 135712842
[(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2,2,2-trifluoroacetate
CID 99799797
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
2-(aminomethyl)-N-methyl-N-(1-phenylethyl)pentanamide
CID 65230078
N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide
CID 82984391

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide (CID 65225792) is 2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide is CCCC(CN)C(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide?
The InChIKey is UYOYWFSKIAIONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-7-13(12-17)15(19)18(11-6-10-16)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,11-12,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide?
2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide has a molecular weight of 259.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide is sourced from PubChem (CID 65225792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).