2-(1-cyanopropan-2-ylamino)-N-propylacetamide

C9H17N3O — CID 60913977

IUPAC2-(1-cyanopropan-2-ylamino)-N-propylacetamide
SMILESCCCNC(=O)CNC(C)CC#N
InChIInChI=1S/C9H17N3O/c1-3-6-11-9(13)7-12-8(2)4-5-10/h8,12H,3-4,6-7H2,1-2H3,(H,11,13)
InChIKeyCNBSBOAERHKPEW-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.40
Rot. Bonds6

About 2-(1-cyanopropan-2-ylamino)-N-propylacetamide

2-(1-cyanopropan-2-ylamino)-N-propylacetamide (PubChem CID 60913977) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(1-cyanopropan-2-ylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(1-cyanopropan-2-ylamino)-N-propylacetamide
PubChem CID60913977
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(1-cyanopropan-2-ylamino)-N-propylacetamide
SMILESCCCNC(=O)CNC(C)CC#N
InChIInChI=1S/C9H17N3O/c1-3-6-11-9(13)7-12-8(2)4-5-10/h8,12H,3-4,6-7H2,1-2H3,(H,11,13)
InChIKeyCNBSBOAERHKPEW-UHFFFAOYSA-N
XLogP0.40
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide
CID 62199849
2-(1-methoxypropan-2-ylamino)-N-propylacetamide
CID 43179596
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61473889
N-(cyanomethyl)-2-(octan-2-ylamino)acetamide
CID 61476793
N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide
CID 43372205
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196
2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
CID 62645665
3-cyano-N-propylbutanamide
CID 82111211
1-(1-cyanopropan-2-yl)-1-methyl-3-propylurea
CID 63224450

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanopropan-2-ylamino)-N-propylacetamide?
The IUPAC name of 2-(1-cyanopropan-2-ylamino)-N-propylacetamide (CID 60913977) is 2-(1-cyanopropan-2-ylamino)-N-propylacetamide.
What is the SMILES notation for 2-(1-cyanopropan-2-ylamino)-N-propylacetamide?
The canonical SMILES for 2-(1-cyanopropan-2-ylamino)-N-propylacetamide is CCCNC(=O)CNC(C)CC#N.
What is the InChIKey of 2-(1-cyanopropan-2-ylamino)-N-propylacetamide?
The InChIKey is CNBSBOAERHKPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-6-11-9(13)7-12-8(2)4-5-10/h8,12H,3-4,6-7H2,1-2H3,(H,11,13).
What are the key properties of 2-(1-cyanopropan-2-ylamino)-N-propylacetamide?
2-(1-cyanopropan-2-ylamino)-N-propylacetamide has a molecular weight of 183.25 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanopropan-2-ylamino)-N-propylacetamide is sourced from PubChem (CID 60913977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).