N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide

C13H24N2O — CID 123366159

IUPACN,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide
SMILESCC=C(C(=O)N(C)C)N(C)C1CCCC1C
InChIInChI=1S/C13H24N2O/c1-6-11(13(16)14(3)4)15(5)12-9-7-8-10(12)2/h6,10,12H,7-9H2,1-5H3
InChIKeyCAYRWEWVYPEOSR-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.10
Rot. Bonds3

About N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide

N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide (PubChem CID 123366159) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide
PubChem CID123366159
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide
SMILESCC=C(C(=O)N(C)C)N(C)C1CCCC1C
InChIInChI=1S/C13H24N2O/c1-6-11(13(16)14(3)4)15(5)12-9-7-8-10(12)2/h6,10,12H,7-9H2,1-5H3
InChIKeyCAYRWEWVYPEOSR-UHFFFAOYSA-N
XLogP2.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide?
The IUPAC name of N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide (CID 123366159) is N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide is CC=C(C(=O)N(C)C)N(C)C1CCCC1C.
What is the InChIKey of N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide?
The InChIKey is CAYRWEWVYPEOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-11(13(16)14(3)4)15(5)12-9-7-8-10(12)2/h6,10,12H,7-9H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide?
N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide has a molecular weight of 224.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-(2-methylcyclopentyl)amino]but-2-enamide is sourced from PubChem (CID 123366159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).