3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide

C13H26N2O — CID 102778679

IUPAC3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)CN(C(=O)C1NCCC1C)C(C)C
InChIInChI=1S/C13H26N2O/c1-9(2)8-15(10(3)4)13(16)12-11(5)6-7-14-12/h9-12,14H,6-8H2,1-5H3
InChIKeyJCBQJCRHQYAWRX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds4

About 3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide

3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 102778679) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID102778679
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)CN(C(=O)C1NCCC1C)C(C)C
InChIInChI=1S/C13H26N2O/c1-9(2)8-15(10(3)4)13(16)12-11(5)6-7-14-12/h9-12,14H,6-8H2,1-5H3
InChIKeyJCBQJCRHQYAWRX-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 102779238
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylpyrrolidine-2-carboxamide
CID 103188683
ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate
CID 102778708
N-(2-methylpropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 60944840
N-(1-cyclopropylethyl)-N,3-dimethylpyrrolidine-2-carboxamide
CID 102777396
N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778623
2-methyl-1-(3-methylpyrrolidin-2-yl)propan-1-one
CID 21338998
6-methyl-N-(2-methylpropyl)-N-propan-2-ylpiperidine-2-carboxamide
CID 55000149
2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948640
N-ethyl-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102777244
N-(2-hydroxyethyl)-3-methyl-N-pentan-3-ylpiperidine-2-carboxamide
CID 62341000
cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091957

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide (CID 102778679) is 3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)CN(C(=O)C1NCCC1C)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is JCBQJCRHQYAWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)8-15(10(3)4)13(16)12-11(5)6-7-14-12/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102778679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).