1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane

C15H31NO — CID 159165374

IUPAC1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane
SMILESC.CC1CC(C(=O)C(C)(C)C)N(C(C)(C)C)C1
InChIInChI=1S/C14H27NO.CH4/c1-10-8-11(12(16)13(2,3)4)15(9-10)14(5,6)7;/h10-11H,8-9H2,1-7H3;1H4
InChIKeyKKZPPYJEROWEDH-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds1

About 1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane

1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane (PubChem CID 159165374) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane.

Molecular Properties

Compound Name1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane
PubChem CID159165374
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane
SMILESC.CC1CC(C(=O)C(C)(C)C)N(C(C)(C)C)C1
InChIInChI=1S/C14H27NO.CH4/c1-10-8-11(12(16)13(2,3)4)15(9-10)14(5,6)7;/h10-11H,8-9H2,1-7H3;1H4
InChIKeyKKZPPYJEROWEDH-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 20752718
1-[(2R,4R)-1,4-dimethylpiperidin-2-yl]-2,2-dimethylpropan-1-one
CID 167367783
1-tert-butyl-2,4-dimethylpyrrolidine
CID 72522507
1-[(2S,4R,5R)-1-tert-butyl-4,5-dimethylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 135198397
1-tert-butyl-2,3,5-trimethylpiperidine
CID 175525228
(1R,3R,5R)-3-(2,2-dimethylpropanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 66973105
1-[(4S)-1-tert-butyl-4-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethylpropan-1-one
CID 154971064
(2R)-1,4-dimethylpyrrolidine-2-carboxylic acid
CID 175489667
1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone
CID 59902800
1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 153429546
1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-3,3-dimethylbutan-2-one
CID 130856209
1-[(3S,6S)-5-tert-butyl-2-propan-2-yl-5-azaspiro[2.4]heptan-6-yl]-2,2-dimethylpropan-1-one
CID 59551517

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane?
The IUPAC name of 1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane (CID 159165374) is 1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane.
What is the SMILES notation for 1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane?
The canonical SMILES for 1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane is C.CC1CC(C(=O)C(C)(C)C)N(C(C)(C)C)C1.
What is the InChIKey of 1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane?
The InChIKey is KKZPPYJEROWEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO.CH4/c1-10-8-11(12(16)13(2,3)4)15(9-10)14(5,6)7;/h10-11H,8-9H2,1-7H3;1H4.
What are the key properties of 1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane?
1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane has a molecular weight of 241.42 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-4-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;methane is sourced from PubChem (CID 159165374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).