2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde

C12H23NO2 — CID 142456381

IUPAC2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
SMILESCC(C)(C)C.O=CN1CC2CCC(C1)O2
InChIInChI=1S/C7H11NO2.C5H12/c9-5-8-3-6-1-2-7(4-8)10-6;1-5(2,3)4/h5-7H,1-4H2;1-4H3
InChIKeyQZCMVCPQYSOVQF-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds1

About 2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde

2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde (PubChem CID 142456381) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
PubChem CID142456381
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
SMILESCC(C)(C)C.O=CN1CC2CCC(C1)O2
InChIInChI=1S/C7H11NO2.C5H12/c9-5-8-3-6-1-2-7(4-8)10-6;1-5(2,3)4/h5-7H,1-4H2;1-4H3
InChIKeyQZCMVCPQYSOVQF-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde?
The IUPAC name of 2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde (CID 142456381) is 2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde.
What is the SMILES notation for 2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde?
The canonical SMILES for 2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde is CC(C)(C)C.O=CN1CC2CCC(C1)O2.
What is the InChIKey of 2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde?
The InChIKey is QZCMVCPQYSOVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C5H12/c9-5-8-3-6-1-2-7(4-8)10-6;1-5(2,3)4/h5-7H,1-4H2;1-4H3.
What are the key properties of 2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde?
2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde has a molecular weight of 213.32 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde is sourced from PubChem (CID 142456381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).