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

C14H26N2O — CID 14599

IUPAC2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCN(C)CC(=O)N1CC2CCC(C)(C1)C2(C)C
InChIInChI=1S/C14H26N2O/c1-13(2)11-6-7-14(13,3)10-16(8-11)12(17)9-15(4)5/h11H,6-10H2,1-5H3
InChIKeyGVYDGDDKVLBCEK-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.83
Rot. Bonds2

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

2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 14599) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID14599
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCN(C)CC(=O)N1CC2CCC(C)(C1)C2(C)C
InChIInChI=1S/C14H26N2O/c1-13(2)11-6-7-14(13,3)10-16(8-11)12(17)9-15(4)5/h11H,6-10H2,1-5H3
InChIKeyGVYDGDDKVLBCEK-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.83
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)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 14599) is 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone is CN(C)CC(=O)N1CC2CCC(C)(C1)C2(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is GVYDGDDKVLBCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2)11-6-7-14(13,3)10-16(8-11)12(17)9-15(4)5/h11H,6-10H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
2-(dimethylamino)-1-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 238.37 g/mol, XLogP of 1.83, 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)ethanone is sourced from PubChem (CID 14599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).