N-(2-cyanopropyl)-2-propylpentanamide

C12H22N2O — CID 115532839

IUPACN-(2-cyanopropyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC(C)C#N
InChIInChI=1S/C12H22N2O/c1-4-6-11(7-5-2)12(15)14-9-10(3)8-13/h10-11H,4-7,9H2,1-3H3,(H,14,15)
InChIKeyCZBKEAYAIQNZMN-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.48
Rot. Bonds7

About N-(2-cyanopropyl)-2-propylpentanamide

N-(2-cyanopropyl)-2-propylpentanamide (PubChem CID 115532839) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-propylpentanamide
PubChem CID115532839
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(2-cyanopropyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC(C)C#N
InChIInChI=1S/C12H22N2O/c1-4-6-11(7-5-2)12(15)14-9-10(3)8-13/h10-11H,4-7,9H2,1-3H3,(H,14,15)
InChIKeyCZBKEAYAIQNZMN-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-hydroxypropyl]-2-propylpentanamide
CID 10058650
(2R)-2-amino-N-(2-cyanopropyl)propanamide
CID 78991396
(2S)-2-amino-N-(2-cyanopropyl)butanamide
CID 79023306
3-(2-cyanopropylamino)-2-methyl-3-oxopropanoic acid
CID 114898360
2-(2-cyanopropylamino)-N-propylpropanamide
CID 61477003
1-butyl-3-(2-cyanopropyl)urea
CID 62653117
3-(2-cyanopropyl)-1,1-dimethylurea
CID 78954145
2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
CID 65036419
2-cyano-N-(2,3,3-trimethylbutyl)pentanamide
CID 83141331
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
N-(2-cyanopropyl)-2,3,4,5,6-pentafluorobenzamide
CID 55102144
2-amino-N-(2-cyanopropyl)-2-methylbutanamide
CID 79811894

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-propylpentanamide?
The IUPAC name of N-(2-cyanopropyl)-2-propylpentanamide (CID 115532839) is N-(2-cyanopropyl)-2-propylpentanamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-propylpentanamide?
The canonical SMILES for N-(2-cyanopropyl)-2-propylpentanamide is CCCC(CCC)C(=O)NCC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-2-propylpentanamide?
The InChIKey is CZBKEAYAIQNZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-6-11(7-5-2)12(15)14-9-10(3)8-13/h10-11H,4-7,9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-cyanopropyl)-2-propylpentanamide?
N-(2-cyanopropyl)-2-propylpentanamide has a molecular weight of 210.32 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-propylpentanamide is sourced from PubChem (CID 115532839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).