N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide

C12H24N2O — CID 115747511

IUPACN-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-8-6-13-7-10(8)11(15)14-9(2)12(3,4)5/h8-10,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyCAOBFDFYEPJGAC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide

N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 115747511) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
PubChem CID115747511
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-8-6-13-7-10(8)11(15)14-9(2)12(3,4)5/h8-10,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyCAOBFDFYEPJGAC-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 63714654
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715088
N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide
CID 81390477
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859
N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide
CID 81385804
4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide
CID 82724672
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714179

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide (CID 115747511) is N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NC(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is CAOBFDFYEPJGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-8-6-13-7-10(8)11(15)14-9(2)12(3,4)5/h8-10,13H,6-7H2,1-5H3,(H,14,15).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 115747511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).