2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal

C11H19NO2 — CID 66372165

IUPAC2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal
SMILESCC(C)(C=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO2/c1-11(2,8-13)7-12-5-9-3-4-10(6-12)14-9/h8-10H,3-7H2,1-2H3
InChIKeyNKDPKSWAJUJMLD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.07
Rot. Bonds3

About 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal

2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal (PubChem CID 66372165) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal
PubChem CID66372165
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal
SMILESCC(C)(C=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C11H19NO2/c1-11(2,8-13)7-12-5-9-3-4-10(6-12)14-9/h8-10H,3-7H2,1-2H3
InChIKeyNKDPKSWAJUJMLD-UHFFFAOYSA-N
XLogP1.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66370736
2,2-Dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66370919
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde
CID 66394065
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride
CID 87331547
3-(2-Propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 89027255
3-(2-Methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 89036631
3-(2-Ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 90160106
3-[(2S)-3-methoxy-2-methylpropyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 121401098
3-[(2-Methylpropan-2-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 129037016
3-(2,2-Dimethylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 133662905
2,2-Dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 142456381
2-methyl-1-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one
CID 153438793

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal?
The IUPAC name of 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal (CID 66372165) is 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal.
What is the SMILES notation for 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal?
The canonical SMILES for 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal is CC(C)(C=O)CN1CC2CCC(C1)O2.
What is the InChIKey of 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal?
The InChIKey is NKDPKSWAJUJMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,8-13)7-12-5-9-3-4-10(6-12)14-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal?
2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal has a molecular weight of 197.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal is sourced from PubChem (CID 66372165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).