N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C13H26N2O — CID 106980333

IUPACN-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCC(C)(C)C)CCNC1
InChIInChI=1S/C13H26N2O/c1-10(2)13(6-7-14-9-13)11(16)15-8-12(3,4)5/h10,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyAYRKULZREMCOLQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.78
Rot. Bonds3

About N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980333) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980333
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCC(C)(C)C)CCNC1
InChIInChI=1S/C13H26N2O/c1-10(2)13(6-7-14-9-13)11(16)15-8-12(3,4)5/h10,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyAYRKULZREMCOLQ-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106255200
N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981317
N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980594
N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980592
N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114162039
2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 106980822
N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981399
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
N-(2-methylbut-3-yn-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980737
N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981418

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980333) is N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)NCC(C)(C)C)CCNC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is AYRKULZREMCOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)13(6-7-14-9-13)11(16)15-8-12(3,4)5/h10,14H,6-9H2,1-5H3,(H,15,16).
What are the key properties of N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).