2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one

C15H28N2O — CID 15526

IUPAC2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCC(C(=O)N1CC2CCC(C)(C1)C2(C)C)N(C)C
InChIInChI=1S/C15H28N2O/c1-11(16(5)6)13(18)17-9-12-7-8-15(4,10-17)14(12,2)3/h11-12H,7-10H2,1-6H3
InChIKeyALLGOMJALBGKDY-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.22
Rot. Bonds2

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

2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one (PubChem CID 15526) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
PubChem CID15526
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCC(C(=O)N1CC2CCC(C)(C1)C2(C)C)N(C)C
InChIInChI=1S/C15H28N2O/c1-11(16(5)6)13(18)17-9-12-7-8-15(4,10-17)14(12,2)3/h11-12H,7-10H2,1-6H3
InChIKeyALLGOMJALBGKDY-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one (CID 15526) is 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one is CC(C(=O)N1CC2CCC(C)(C1)C2(C)C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The InChIKey is ALLGOMJALBGKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(16(5)6)13(18)17-9-12-7-8-15(4,10-17)14(12,2)3/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one is sourced from PubChem (CID 15526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).