2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide

C12H21N3O — CID 63228388

IUPAC2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide
SMILESCC(CC#N)N(C)CC(=O)NC1CCCC1
InChIInChI=1S/C12H21N3O/c1-10(7-8-13)15(2)9-12(16)14-11-5-3-4-6-11/h10-11H,3-7,9H2,1-2H3,(H,14,16)
InChIKeySFOYTDUHKABNIX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.28
Rot. Bonds5

About 2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide

2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide (PubChem CID 63228388) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide
PubChem CID63228388
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide
SMILESCC(CC#N)N(C)CC(=O)NC1CCCC1
InChIInChI=1S/C12H21N3O/c1-10(7-8-13)15(2)9-12(16)14-11-5-3-4-6-11/h10-11H,3-7,9H2,1-2H3,(H,14,16)
InChIKeySFOYTDUHKABNIX-UHFFFAOYSA-N
XLogP1.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide
CID 60670090
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
N-(1-cyanopropan-2-yl)-2-(cyclopentylamino)-N-methylacetamide
CID 63224848
N-cyclopropyl-2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]acetamide
CID 63582922
2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide
CID 54992919
3-[methyl(2-oxobutyl)amino]butanenitrile
CID 63223260
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
CID 60677002
2-cyano-N-cyclopentylacetamide
CID 5093205
N-[(2R)-1-cyanopropan-2-yl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
CID 95345784
N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide
CID 124850332
2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide?
The IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide (CID 63228388) is 2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide is CC(CC#N)N(C)CC(=O)NC1CCCC1.
What is the InChIKey of 2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide?
The InChIKey is SFOYTDUHKABNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(7-8-13)15(2)9-12(16)14-11-5-3-4-6-11/h10-11H,3-7,9H2,1-2H3,(H,14,16).
What are the key properties of 2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide?
2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide has a molecular weight of 223.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide is sourced from PubChem (CID 63228388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).