N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide

C13H26N2O — CID 61365041

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCC(N(C)C(=O)CC1CCCN1)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10(13(2,3)4)15(5)12(16)9-11-7-6-8-14-11/h10-11,14H,6-9H2,1-5H3
InChIKeyCLZRZYJELRZHAF-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide

N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide (PubChem CID 61365041) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
PubChem CID61365041
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCC(N(C)C(=O)CC1CCCN1)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10(13(2,3)4)15(5)12(16)9-11-7-6-8-14-11/h10-11,14H,6-9H2,1-5H3
InChIKeyCLZRZYJELRZHAF-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-pentan-3-yl-2-pyrrolidin-2-ylacetamide
CID 61371384
N-(dicyclopropylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760619
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786372
N-methyl-N-(2-methylpropyl)-2-pyrrolidin-2-ylacetamide
CID 61372375
N-methyl-N-(3-methylbutyl)-2-pyrrolidin-2-ylacetamide
CID 61363889
N-ethyl-N-propan-2-yl-2-pyrrolidin-2-ylacetamide
CID 61372730
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364284
N-(2-hydroxypropyl)-N-methyl-2-piperidin-2-ylacetamide
CID 62336961
N-cyclopropyl-N-propan-2-yl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119728069
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119704713
N-cycloheptyl-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370216

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide (CID 61365041) is N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide is CC(N(C)C(=O)CC1CCCN1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is CLZRZYJELRZHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(13(2,3)4)15(5)12(16)9-11-7-6-8-14-11/h10-11,14H,6-9H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide?
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61365041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).