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

C12H24N2O — CID 104828260

IUPACN-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C)CCNC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(11(2,3)4)14-10(15)12(5)6-7-13-8-12/h9,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyDJZSLWAADQCUCZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.54
Rot. Bonds2

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

N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 104828260) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
PubChem CID104828260
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C)CCNC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(11(2,3)4)14-10(15)12(5)6-7-13-8-12/h9,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyDJZSLWAADQCUCZ-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3,3-dimethyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 113353123
(2S)-3,3-dimethyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 63141735
N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
CID 113266401
methyl (2R)-2-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 119781278
N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide
CID 81388379
3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119796250
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63142239
N-(1-ethoxypropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63142112
2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116569850
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
CID 103109036

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide (CID 104828260) is N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide is CC(NC(=O)C1(C)CCNC1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is DJZSLWAADQCUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(11(2,3)4)14-10(15)12(5)6-7-13-8-12/h9,13H,6-8H2,1-5H3,(H,14,15).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.54, 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)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 104828260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).