4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one

C11H22N2O — CID 116910588

IUPAC4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one
SMILESCC(=O)CC(C1CCN(C)C1)N(C)C
InChIInChI=1S/C11H22N2O/c1-9(14)7-11(12(2)3)10-5-6-13(4)8-10/h10-11H,5-8H2,1-4H3
InChIKeyYRZIQUFPYDCLKV-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds4

About 4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one

4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one (PubChem CID 116910588) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one
PubChem CID116910588
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one
SMILESCC(=O)CC(C1CCN(C)C1)N(C)C
InChIInChI=1S/C11H22N2O/c1-9(14)7-11(12(2)3)10-5-6-13(4)8-10/h10-11H,5-8H2,1-4H3
InChIKeyYRZIQUFPYDCLKV-UHFFFAOYSA-N
XLogP0.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol
CID 116857325
2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116907508
4-(dimethylamino)-3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid
CID 116908186
3-amino-N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850366
3-amino-4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butanoic acid
CID 116911919
N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine
CID 116911286
ethane;N-ethyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 143734601
N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 82406005
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
CID 116940794
methyl 2-[dimethylamino-(1-methylpyrrolidin-3-yl)methyl]-3-methylbutanoate
CID 116913656

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one?
The IUPAC name of 4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one (CID 116910588) is 4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one.
What is the SMILES notation for 4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one?
The canonical SMILES for 4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one is CC(=O)CC(C1CCN(C)C1)N(C)C.
What is the InChIKey of 4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one?
The InChIKey is YRZIQUFPYDCLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(14)7-11(12(2)3)10-5-6-13(4)8-10/h10-11H,5-8H2,1-4H3.
What are the key properties of 4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one?
4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one has a molecular weight of 198.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one is sourced from PubChem (CID 116910588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).