1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde

C11H19NO — CID 173139577

IUPAC1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde
SMILESCC12CCC(CN(C=O)C1)C2(C)C
InChIInChI=1S/C11H19NO/c1-10(2)9-4-5-11(10,3)7-12(6-9)8-13/h8-9H,4-7H2,1-3H3
InChIKeyWYKYSEUATVWFGW-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.90
Rot. Bonds1

About 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde

1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde (PubChem CID 173139577) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde.

Molecular Properties

Compound Name1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde
PubChem CID173139577
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde
SMILESCC12CCC(CN(C=O)C1)C2(C)C
InChIInChI=1S/C11H19NO/c1-10(2)9-4-5-11(10,3)7-12(6-9)8-13/h8-9H,4-7H2,1-3H3
InChIKeyWYKYSEUATVWFGW-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde?
The IUPAC name of 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde (CID 173139577) is 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde.
What is the SMILES notation for 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde?
The canonical SMILES for 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde is CC12CCC(CN(C=O)C1)C2(C)C.
What is the InChIKey of 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde?
The InChIKey is WYKYSEUATVWFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)9-4-5-11(10,3)7-12(6-9)8-13/h8-9H,4-7H2,1-3H3.
What are the key properties of 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde?
1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde has a molecular weight of 181.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde is sourced from PubChem (CID 173139577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).