2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide

C12H22N2O — CID 123846624

IUPAC2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide
SMILESCC=C(C(=O)N(C)C)N(C)C1CCCC1
InChIInChI=1S/C12H22N2O/c1-5-11(12(15)13(2)3)14(4)10-8-6-7-9-10/h5,10H,6-9H2,1-4H3
InChIKeyDBDALZKFBZBCBF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.85
Rot. Bonds3

About 2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide

2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide (PubChem CID 123846624) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide
PubChem CID123846624
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide
SMILESCC=C(C(=O)N(C)C)N(C)C1CCCC1
InChIInChI=1S/C12H22N2O/c1-5-11(12(15)13(2)3)14(4)10-8-6-7-9-10/h5,10H,6-9H2,1-4H3
InChIKeyDBDALZKFBZBCBF-UHFFFAOYSA-N
XLogP1.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide
CID 123366159
2-[cyclopropyl(methyl)amino]but-2-enamide
CID 154464636
N-cyclohexyl-N-methyl-2-oxopropanamide
CID 115175558
N-cyclohexyl-N-methylbut-2-enamide
CID 78907896
1-cyclooctyl-1-methylurea
CID 126989312
N-cyclobutyl-N-methyl-2-oxoacetamide
CID 115166163
N-cyclopentyl-2,2,2-trifluoro-N-methylacetamide
CID 63374781
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
4-[cyclohexyl(methyl)amino]-4-oxobut-2-enoate
CID 3628246
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
1-cyclobutyl-1,3-dimethylurea
CID 66861755
N-cyclobutyl-2-hydroxy-N-methylacetamide
CID 115139792

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide (CID 123846624) is 2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide is CC=C(C(=O)N(C)C)N(C)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide?
The InChIKey is DBDALZKFBZBCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-11(12(15)13(2)3)14(4)10-8-6-7-9-10/h5,10H,6-9H2,1-4H3.
What are the key properties of 2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide?
2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-N,N-dimethylbut-2-enamide is sourced from PubChem (CID 123846624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).