3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide

C12H24N2O — CID 114793955

IUPAC3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
SMILESCC(C)(C)CC(=O)NCCC1CCCN1
InChIInChI=1S/C12H24N2O/c1-12(2,3)9-11(15)14-8-6-10-5-4-7-13-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyYHWBUNYDRZLSNL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.68
Rot. Bonds4

About 3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide

3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide (PubChem CID 114793955) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
PubChem CID114793955
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
SMILESCC(C)(C)CC(=O)NCCC1CCCN1
InChIInChI=1S/C12H24N2O/c1-12(2,3)9-11(15)14-8-6-10-5-4-7-13-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyYHWBUNYDRZLSNL-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide
CID 24697478
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
3,3-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]butanamide;hydrochloride
CID 119512367
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
N-(2-pyrrolidin-2-ylethyl)pent-4-enamide
CID 114793761
N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209753
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 113267487

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide (CID 114793955) is 3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide is CC(C)(C)CC(=O)NCCC1CCCN1.
What is the InChIKey of 3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide?
The InChIKey is YHWBUNYDRZLSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)9-11(15)14-8-6-10-5-4-7-13-10/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide?
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide is sourced from PubChem (CID 114793955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).