4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one

C13H24N2O — CID 156886445

IUPAC4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one
SMILESCC(C)C(=O)CCN1CC2CCC(C1)N2C
InChIInChI=1S/C13H24N2O/c1-10(2)13(16)6-7-15-8-11-4-5-12(9-15)14(11)3/h10-12H,4-9H2,1-3H3
InChIKeyHWUXYFDHEHHPRX-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds4

About 4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one

4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one (PubChem CID 156886445) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one
PubChem CID156886445
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one
SMILESCC(C)C(=O)CCN1CC2CCC(C1)N2C
InChIInChI=1S/C13H24N2O/c1-10(2)13(16)6-7-15-8-11-4-5-12(9-15)14(11)3/h10-12H,4-9H2,1-3H3
InChIKeyHWUXYFDHEHHPRX-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-1-yl)-4-methylpentan-3-one
CID 131213332
(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane
CID 156795020
3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 165145974
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol;bis(2-phenylacetic acid)
CID 21119359
1-[(1S,5R)-3-(5-methylhexyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone
CID 155402146
1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70326972
ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 176961318
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094
1-(4-chlorophenyl)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79164094
3-chloro-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79174324
N,N-dimethyl-3-[8-(methylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanamide
CID 170290766

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one?
The IUPAC name of 4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one (CID 156886445) is 4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one.
What is the SMILES notation for 4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one?
The canonical SMILES for 4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one is CC(C)C(=O)CCN1CC2CCC(C1)N2C.
What is the InChIKey of 4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one?
The InChIKey is HWUXYFDHEHHPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)13(16)6-7-15-8-11-4-5-12(9-15)14(11)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one?
4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one has a molecular weight of 224.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pentan-3-one is sourced from PubChem (CID 156886445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).