2-cyano-N-(2,3,3-trimethylbutyl)pentanamide

C13H24N2O — CID 83141331

IUPAC2-cyano-N-(2,3,3-trimethylbutyl)pentanamide
SMILESCCCC(C#N)C(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-6-7-11(8-14)12(16)15-9-10(2)13(3,4)5/h10-11H,6-7,9H2,1-5H3,(H,15,16)
InChIKeyPQAYAZVFZWQGFU-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.72
Rot. Bonds5

About 2-cyano-N-(2,3,3-trimethylbutyl)pentanamide

2-cyano-N-(2,3,3-trimethylbutyl)pentanamide (PubChem CID 83141331) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyano-N-(2,3,3-trimethylbutyl)pentanamide.

Molecular Properties

Compound Name2-cyano-N-(2,3,3-trimethylbutyl)pentanamide
PubChem CID83141331
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-cyano-N-(2,3,3-trimethylbutyl)pentanamide
SMILESCCCC(C#N)C(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-6-7-11(8-14)12(16)15-9-10(2)13(3,4)5/h10-11H,6-7,9H2,1-5H3,(H,15,16)
InChIKeyPQAYAZVFZWQGFU-UHFFFAOYSA-N
XLogP2.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
CID 65036419
2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142651
2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide
CID 106116827
2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide
CID 107860521
3-methyl-2-sulfanyl-N-(2,3,3-trimethylbutyl)butanamide
CID 107034108
2-(methylamino)-N-(2,3,3-trimethylbutyl)propanamide
CID 83143044
N-(2-cyanopropyl)-2-propylpentanamide
CID 115532839
2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide
CID 82938971
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide
CID 113410594
2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384976
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 114137027

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3,3-trimethylbutyl)pentanamide?
The IUPAC name of 2-cyano-N-(2,3,3-trimethylbutyl)pentanamide (CID 83141331) is 2-cyano-N-(2,3,3-trimethylbutyl)pentanamide.
What is the SMILES notation for 2-cyano-N-(2,3,3-trimethylbutyl)pentanamide?
The canonical SMILES for 2-cyano-N-(2,3,3-trimethylbutyl)pentanamide is CCCC(C#N)C(=O)NCC(C)C(C)(C)C.
What is the InChIKey of 2-cyano-N-(2,3,3-trimethylbutyl)pentanamide?
The InChIKey is PQAYAZVFZWQGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-7-11(8-14)12(16)15-9-10(2)13(3,4)5/h10-11H,6-7,9H2,1-5H3,(H,15,16).
What are the key properties of 2-cyano-N-(2,3,3-trimethylbutyl)pentanamide?
2-cyano-N-(2,3,3-trimethylbutyl)pentanamide has a molecular weight of 224.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3,3-trimethylbutyl)pentanamide is sourced from PubChem (CID 83141331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).