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

C13H26N2O — CID 106979682

IUPACN-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)CN(C)C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C13H26N2O/c1-10(2)8-15(5)12(16)13(11(3)4)6-7-14-9-13/h10-11,14H,6-9H2,1-5H3
InChIKeyRTOIMUMONQIHQF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.74
Rot. Bonds4

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

N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979682) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979682
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)CN(C)C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C13H26N2O/c1-10(2)8-15(5)12(16)13(11(3)4)6-7-14-9-13/h10-11,14H,6-9H2,1-5H3
InChIKeyRTOIMUMONQIHQF-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980192
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980154
N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide
CID 106980739
N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 106979980
N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980020
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980920
N-[(3,4-difluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980069
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979778
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980175
4-methoxy-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119708518
3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 106980309
2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982172

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979682) is N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)CN(C)C(=O)C1(C(C)C)CCNC1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is RTOIMUMONQIHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)8-15(5)12(16)13(11(3)4)6-7-14-9-13/h10-11,14H,6-9H2,1-5H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).