4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide

C12H24N2O — CID 115747606

IUPAC4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide
SMILESCCCC(C)(C)NC(=O)C1CNCC1C
InChIInChI=1S/C12H24N2O/c1-5-6-12(3,4)14-11(15)10-8-13-7-9(10)2/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyKNCYSGNLJYSIAW-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.54
Rot. Bonds4

About 4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide

4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 115747606) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide
PubChem CID115747606
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide
SMILESCCCC(C)(C)NC(=O)C1CNCC1C
InChIInChI=1S/C12H24N2O/c1-5-6-12(3,4)14-11(15)10-8-13-7-9(10)2/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyKNCYSGNLJYSIAW-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
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4-methyl-N-(4-propylcyclohexyl)pyrrolidine-3-carboxamide
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(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
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4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide
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(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-(4-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidine-3-carboxamide
CID 106147910
N-(4-hydroxy-2-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 115870127
N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747511
N-[(1-ethylcyclopropyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 103822212
4-methyl-N-methylsulfonylpyrrolidine-3-carboxamide
CID 103287565

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide (CID 115747606) is 4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide is CCCC(C)(C)NC(=O)C1CNCC1C.
What is the InChIKey of 4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is KNCYSGNLJYSIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-12(3,4)14-11(15)10-8-13-7-9(10)2/h9-10,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide?
4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115747606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).