6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde

C9H15NO — CID 54187252

IUPAC6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde
SMILESCC1(C)C2CCN(C=O)C1C2
InChIInChI=1S/C9H15NO/c1-9(2)7-3-4-10(6-11)8(9)5-7/h6-8H,3-5H2,1-2H3
InChIKeyPFXXOLOFUSVDNO-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.26
Rot. Bonds1

About 6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde

6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde (PubChem CID 54187252) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde.

Molecular Properties

Compound Name6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde
PubChem CID54187252
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde
SMILESCC1(C)C2CCN(C=O)C1C2
InChIInChI=1S/C9H15NO/c1-9(2)7-3-4-10(6-11)8(9)5-7/h6-8H,3-5H2,1-2H3
InChIKeyPFXXOLOFUSVDNO-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.26
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 6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde?
The IUPAC name of 6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde (CID 54187252) is 6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde.
What is the SMILES notation for 6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde?
The canonical SMILES for 6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde is CC1(C)C2CCN(C=O)C1C2.
What is the InChIKey of 6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde?
The InChIKey is PFXXOLOFUSVDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2)7-3-4-10(6-11)8(9)5-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde?
6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde has a molecular weight of 153.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-azabicyclo[3.1.1]heptane-2-carbaldehyde is sourced from PubChem (CID 54187252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).