1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one

C12H22N2O — CID 3050913

IUPAC1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESCCC(=O)N1C2CCC1CN(C(C)C)C2
InChIInChI=1S/C12H22N2O/c1-4-12(15)14-10-5-6-11(14)8-13(7-10)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyBXLQTPPOSKXFCX-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.48
Rot. Bonds2

About 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one

1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one (PubChem CID 3050913) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one
PubChem CID3050913
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESCCC(=O)N1C2CCC1CN(C(C)C)C2
InChIInChI=1S/C12H22N2O/c1-4-12(15)14-10-5-6-11(14)8-13(7-10)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyBXLQTPPOSKXFCX-UHFFFAOYSA-N
XLogP1.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Acetyl-3-methyl-3,8-diazabicyclo(3.2.1)octane
CID 45835
3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyl-
CID 115601
8-Methyl-3-propionyl-3,8-diazabicyclo(3.2.1)octane
CID 115602
8-(2,2-Dimethylpropionyl)-3-methyl-3,8-diazabicyclo(3.2.1)octane
CID 3044446
1-[(1,1-Dimethylpiperidin-1-ium-2-yl)methyl]pyrrolidin-2-one
CID 44350045
1-[(1-Methylpiperidin-2-yl)methyl]pyrrolidin-2-one
CID 44350089
3,8-Diazabicyclo(3.2.1)octane, 3-allyl-8-propionyl-
CID 15721
3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-
CID 45822
3-(Cyclopentylmethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane
CID 45830
3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane
CID 46301
8-Propionyl-3,8-diazabicyclo(3.2.1)octane-ethanol
CID 91117
3,8-Diazabicyclo(3.2.1)octane, 3,8-dipropionyl-
CID 115438

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one?
The IUPAC name of 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one (CID 3050913) is 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one.
What is the SMILES notation for 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one?
The canonical SMILES for 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one is CCC(=O)N1C2CCC1CN(C(C)C)C2.
What is the InChIKey of 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one?
The InChIKey is BXLQTPPOSKXFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-12(15)14-10-5-6-11(14)8-13(7-10)9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one?
1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one is sourced from PubChem (CID 3050913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).