2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide

C9H15N3O — CID 60670090

IUPAC2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide
SMILESCC(C#N)N(C)CC(=O)NC1CC1
InChIInChI=1S/C9H15N3O/c1-7(5-10)12(2)6-9(13)11-8-3-4-8/h7-8H,3-4,6H2,1-2H3,(H,11,13)
InChIKeySXGUUOZAVLVVNM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.11
Rot. Bonds4

About 2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide

2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide (PubChem CID 60670090) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide
PubChem CID60670090
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide
SMILESCC(C#N)N(C)CC(=O)NC1CC1
InChIInChI=1S/C9H15N3O/c1-7(5-10)12(2)6-9(13)11-8-3-4-8/h7-8H,3-4,6H2,1-2H3,(H,11,13)
InChIKeySXGUUOZAVLVVNM-UHFFFAOYSA-N
XLogP0.11
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60670289
2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide
CID 63228388
2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
CID 60677002
N-cyclopropyl-2-[(1-hydrazinyl-1-oxopropan-2-yl)-methylamino]acetamide
CID 63584391
2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 55207660
N-cyclopropyl-2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]acetamide
CID 63582922
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(3-methylbutan-2-yl)amino]acetamide
CID 43067880
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate
CID 64661878

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide (CID 60670090) is 2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide is CC(C#N)N(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide?
The InChIKey is SXGUUOZAVLVVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(5-10)12(2)6-9(13)11-8-3-4-8/h7-8H,3-4,6H2,1-2H3,(H,11,13).
What are the key properties of 2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide?
2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide has a molecular weight of 181.24 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 60670090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).