2-(2-cyanopropylamino)-N-propylpropanamide

C10H19N3O — CID 61477003

IUPAC2-(2-cyanopropylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(C)C#N
InChIInChI=1S/C10H19N3O/c1-4-5-12-10(14)9(3)13-7-8(2)6-11/h8-9,13H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyJZFBQUYNYSQSQA-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.65
Rot. Bonds6

About 2-(2-cyanopropylamino)-N-propylpropanamide

2-(2-cyanopropylamino)-N-propylpropanamide (PubChem CID 61477003) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2-cyanopropylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2-cyanopropylamino)-N-propylpropanamide
PubChem CID61477003
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(2-cyanopropylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(C)C#N
InChIInChI=1S/C10H19N3O/c1-4-5-12-10(14)9(3)13-7-8(2)6-11/h8-9,13H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyJZFBQUYNYSQSQA-UHFFFAOYSA-N
XLogP0.65
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-propylbutanamide
CID 82111211
2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide
CID 63966960
3,3-dicyano-2-methyl-N-propylpropanamide
CID 123543339
N-(2-cyanopropyl)-2-propylpentanamide
CID 115532839
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide
CID 61477002
2-(3-hydroxybutylamino)-N-propylpropanamide
CID 64913708
2-(pent-3-ynylamino)-N-propylpropanamide
CID 104806535
1-butyl-3-(2-cyanopropyl)urea
CID 62653117
2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide
CID 60695704
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
(2R)-2-amino-N-(2-cyanopropyl)propanamide
CID 78991396
N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 114168386

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropylamino)-N-propylpropanamide?
The IUPAC name of 2-(2-cyanopropylamino)-N-propylpropanamide (CID 61477003) is 2-(2-cyanopropylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(2-cyanopropylamino)-N-propylpropanamide?
The canonical SMILES for 2-(2-cyanopropylamino)-N-propylpropanamide is CCCNC(=O)C(C)NCC(C)C#N.
What is the InChIKey of 2-(2-cyanopropylamino)-N-propylpropanamide?
The InChIKey is JZFBQUYNYSQSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-5-12-10(14)9(3)13-7-8(2)6-11/h8-9,13H,4-5,7H2,1-3H3,(H,12,14).
What are the key properties of 2-(2-cyanopropylamino)-N-propylpropanamide?
2-(2-cyanopropylamino)-N-propylpropanamide has a molecular weight of 197.28 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropylamino)-N-propylpropanamide is sourced from PubChem (CID 61477003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).