1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one

C14H26N2O — CID 165488820

IUPAC1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one
SMILESCC(C(=O)N1CC2CC(N)CC1C2)C(C)(C)C
InChIInChI=1S/C14H26N2O/c1-9(14(2,3)4)13(17)16-8-10-5-11(15)7-12(16)6-10/h9-12H,5-8,15H2,1-4H3
InChIKeyTUDIMBWROACMSZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.01
Rot. Bonds1

About 1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one

1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one (PubChem CID 165488820) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one
PubChem CID165488820
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one
SMILESCC(C(=O)N1CC2CC(N)CC1C2)C(C)(C)C
InChIInChI=1S/C14H26N2O/c1-9(14(2,3)4)13(17)16-8-10-5-11(15)7-12(16)6-10/h9-12H,5-8,15H2,1-4H3
InChIKeyTUDIMBWROACMSZ-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one?
The IUPAC name of 1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one (CID 165488820) is 1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one.
What is the SMILES notation for 1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one?
The canonical SMILES for 1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one is CC(C(=O)N1CC2CC(N)CC1C2)C(C)(C)C.
What is the InChIKey of 1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one?
The InChIKey is TUDIMBWROACMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-9(14(2,3)4)13(17)16-8-10-5-11(15)7-12(16)6-10/h9-12H,5-8,15H2,1-4H3.
What are the key properties of 1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one?
1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-azabicyclo[3.2.1]octan-6-yl)-2,3,3-trimethylbutan-1-one is sourced from PubChem (CID 165488820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).