3-cyano-N,N-dimethyl-3-(propylamino)propanamide

C9H17N3O — CID 66430847

IUPAC3-cyano-N,N-dimethyl-3-(propylamino)propanamide
SMILESCCCNC(C#N)CC(=O)N(C)C
InChIInChI=1S/C9H17N3O/c1-4-5-11-8(7-10)6-9(13)12(2)3/h8,11H,4-6H2,1-3H3
InChIKeyUYFWRXIZLQDQHG-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.36
Rot. Bonds5

About 3-cyano-N,N-dimethyl-3-(propylamino)propanamide

3-cyano-N,N-dimethyl-3-(propylamino)propanamide (PubChem CID 66430847) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-cyano-N,N-dimethyl-3-(propylamino)propanamide.

Molecular Properties

Compound Name3-cyano-N,N-dimethyl-3-(propylamino)propanamide
PubChem CID66430847
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-cyano-N,N-dimethyl-3-(propylamino)propanamide
SMILESCCCNC(C#N)CC(=O)N(C)C
InChIInChI=1S/C9H17N3O/c1-4-5-11-8(7-10)6-9(13)12(2)3/h8,11H,4-6H2,1-3H3
InChIKeyUYFWRXIZLQDQHG-UHFFFAOYSA-N
XLogP0.36
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-3-[2-(diethylamino)ethylamino]-N,N-dimethylpropanamide
CID 66432290
3-anilino-3-cyano-N,N-dimethylpropanamide
CID 66431052
3-cyano-3-[2-(dimethylamino)ethylamino]propanamide
CID 66427341
3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide
CID 106230179
3-(1-cyanopropyl)-1,1-dimethylurea
CID 79154403
4-[bis(3-methylbutyl)amino]-2-(propylamino)butanenitrile
CID 107870915
N,N-dimethyl-2-(propylamino)propanamide
CID 43086179
4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile
CID 63029476
2-(2-hydroxyethylamino)pentanenitrile
CID 62586058
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile
CID 81475532
2-[2-(diethylamino)ethylamino]-4-oxo-4-pyrrolidin-1-ylbutanenitrile
CID 66432333
4-(4-ethylpiperazin-1-yl)-2-(propylamino)butanenitrile
CID 63029842

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N,N-dimethyl-3-(propylamino)propanamide?
The IUPAC name of 3-cyano-N,N-dimethyl-3-(propylamino)propanamide (CID 66430847) is 3-cyano-N,N-dimethyl-3-(propylamino)propanamide.
What is the SMILES notation for 3-cyano-N,N-dimethyl-3-(propylamino)propanamide?
The canonical SMILES for 3-cyano-N,N-dimethyl-3-(propylamino)propanamide is CCCNC(C#N)CC(=O)N(C)C.
What is the InChIKey of 3-cyano-N,N-dimethyl-3-(propylamino)propanamide?
The InChIKey is UYFWRXIZLQDQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-5-11-8(7-10)6-9(13)12(2)3/h8,11H,4-6H2,1-3H3.
What are the key properties of 3-cyano-N,N-dimethyl-3-(propylamino)propanamide?
3-cyano-N,N-dimethyl-3-(propylamino)propanamide has a molecular weight of 183.25 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N,N-dimethyl-3-(propylamino)propanamide is sourced from PubChem (CID 66430847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).