3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one

C12H24N2O — CID 21057232

IUPAC3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one
SMILESCNC(C(=O)N1CCCC1C)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9-7-6-8-14(9)11(15)10(13-5)12(2,3)4/h9-10,13H,6-8H2,1-5H3
InChIKeyPOLSJRQUPRUEOA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds2

About 3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one

3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one (PubChem CID 21057232) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one
PubChem CID21057232
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one
SMILESCNC(C(=O)N1CCCC1C)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9-7-6-8-14(9)11(15)10(13-5)12(2,3)4/h9-10,13H,6-8H2,1-5H3
InChIKeyPOLSJRQUPRUEOA-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142517218
(2S)-1-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-3,3-dimethyl-2-(methylamino)butan-1-one
CID 167242697
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
7-bromo-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]heptanamide
CID 166823528
(2S)-3,3-dimethyl-2-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 61188083
methyl 8-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]amino]-8-oxooctanoate
CID 170412054
N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-3-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 176699952
2-(methylamino)-N-[1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]propanamide
CID 123953640
1-[(3R,3aS,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-2-(methylamino)butan-1-one
CID 58855748
2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid
CID 90327802
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
cyclopropylmethyl 2-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]-3-ethylpentanoate
CID 143102317

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one (CID 21057232) is 3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one is CNC(C(=O)N1CCCC1C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one?
The InChIKey is POLSJRQUPRUEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-7-6-8-14(9)11(15)10(13-5)12(2,3)4/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one?
3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 21057232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).