1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide

C17H28N2O2 — CID 108913279

IUPAC1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)NC=C2CCOCC2)C1
InChIInChI=1S/C17H28N2O2/c1-16(2)8-14-9-17(3,11-16)12-19(14)15(20)18-10-13-4-6-21-7-5-13/h10,14H,4-9,11-12H2,1-3H3,(H,18,20)
InChIKeyHHUAHUWIKFGKGT-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.29
Rot. Bonds1

About 1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide

1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 108913279) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID108913279
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)NC=C2CCOCC2)C1
InChIInChI=1S/C17H28N2O2/c1-16(2)8-14-9-17(3,11-16)12-19(14)15(20)18-10-13-4-6-21-7-5-13/h10,14H,4-9,11-12H2,1-3H3,(H,18,20)
InChIKeyHHUAHUWIKFGKGT-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108915890
(1S,5S)-1,3,3-trimethyl-N-[4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]amino]phenyl]-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 98089225
morpholin-4-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 3747462
N-(furan-2-yl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108868530
N-[(E)-2-(2-bromophenyl)ethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108905155
1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
CID 108509743
N-(3-hydroxyphenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108895826
1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl chloride
CID 54116057
ethane;1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 145255334
1,3,3-trimethyl-N-(1,2,5-thiadiazol-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 5001141
N-(3-fluorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108893974
N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108527470

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of 1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide (CID 108913279) is 1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for 1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for 1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide is CC1(C)CC2CC(C)(CN2C(=O)NC=C2CCOCC2)C1.
What is the InChIKey of 1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is HHUAHUWIKFGKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2)8-14-9-17(3,11-16)12-19(14)15(20)18-10-13-4-6-21-7-5-13/h10,14H,4-9,11-12H2,1-3H3,(H,18,20).
What are the key properties of 1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-(oxan-4-ylidenemethyl)-6-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 108913279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).