3,3-di(propan-2-yl)azetidine-1-carbaldehyde

C10H19NO — CID 176798064

IUPAC3,3-di(propan-2-yl)azetidine-1-carbaldehyde
SMILESCC(C)C1(C(C)C)CN(C=O)C1
InChIInChI=1S/C10H19NO/c1-8(2)10(9(3)4)5-11(6-10)7-12/h7-9H,5-6H2,1-4H3
InChIKeyCLJVFAKMGKQKDQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.76
Rot. Bonds3

About 3,3-di(propan-2-yl)azetidine-1-carbaldehyde

3,3-di(propan-2-yl)azetidine-1-carbaldehyde (PubChem CID 176798064) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)azetidine-1-carbaldehyde.

Molecular Properties

Compound Name3,3-di(propan-2-yl)azetidine-1-carbaldehyde
PubChem CID176798064
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3,3-di(propan-2-yl)azetidine-1-carbaldehyde
SMILESCC(C)C1(C(C)C)CN(C=O)C1
InChIInChI=1S/C10H19NO/c1-8(2)10(9(3)4)5-11(6-10)7-12/h7-9H,5-6H2,1-4H3
InChIKeyCLJVFAKMGKQKDQ-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoroazetidine-1-carbaldehyde
CID 87323503
6-propan-2-yl-2-azaspiro[3.3]heptane-2-carbaldehyde
CID 166968893
2,2,6,6-tetramethylmorpholine-4-carbaldehyde
CID 102746370
8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde
CID 171415652
4-propan-2-ylpiperidine-1-carbaldehyde
CID 45083861
1-oxa-6-azaspiro[3.3]heptane-6-carbaldehyde
CID 141388788
(1R,5S)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carbaldehyde
CID 38999805
4-propan-2-yl-1,4-diazepane-1-carbaldehyde
CID 87764611
3-hydroxy-3-methylpyrrolidine-1-carbaldehyde
CID 103357524
3-fluoro-3-methylpyrrolidine-1-carbaldehyde
CID 143837055
3-[(cyclopropylamino)methyl]-3-methylazetidine-1-carbaldehyde
CID 138711698
1-propan-2-ylcycloheptane-1-carbaldehyde
CID 130026144

Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)azetidine-1-carbaldehyde?
The IUPAC name of 3,3-di(propan-2-yl)azetidine-1-carbaldehyde (CID 176798064) is 3,3-di(propan-2-yl)azetidine-1-carbaldehyde.
What is the SMILES notation for 3,3-di(propan-2-yl)azetidine-1-carbaldehyde?
The canonical SMILES for 3,3-di(propan-2-yl)azetidine-1-carbaldehyde is CC(C)C1(C(C)C)CN(C=O)C1.
What is the InChIKey of 3,3-di(propan-2-yl)azetidine-1-carbaldehyde?
The InChIKey is CLJVFAKMGKQKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)10(9(3)4)5-11(6-10)7-12/h7-9H,5-6H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)azetidine-1-carbaldehyde?
3,3-di(propan-2-yl)azetidine-1-carbaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)azetidine-1-carbaldehyde is sourced from PubChem (CID 176798064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).