2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal

C13H23NO2 — CID 66371570

IUPAC2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal
SMILESCCCC(C)(C=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C13H23NO2/c1-3-6-13(2,10-15)9-14-7-11-4-5-12(8-14)16-11/h10-12H,3-9H2,1-2H3
InChIKeyFNXSPDDNSSUWND-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.85
Rot. Bonds5

About 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal

2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal (PubChem CID 66371570) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal.

Molecular Properties

Compound Name2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal
PubChem CID66371570
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal
SMILESCCCC(C)(C=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C13H23NO2/c1-3-6-13(2,10-15)9-14-7-11-4-5-12(8-14)16-11/h10-12H,3-9H2,1-2H3
InChIKeyFNXSPDDNSSUWND-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62277215
2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal
CID 62277702
2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal
CID 62278121
2-methyl-2-(morpholin-4-ylmethyl)pentanal
CID 62276739
2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62276202
2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine
CID 66369812
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentanal
CID 62277156
2-methyl-2-propylpentanal
CID 12587446
2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol
CID 66371587
2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62277726
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-methylpentanal
CID 55050590
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentanal
CID 104691907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal?
The IUPAC name of 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal (CID 66371570) is 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal.
What is the SMILES notation for 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal?
The canonical SMILES for 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal is CCCC(C)(C=O)CN1CC2CCC(C1)O2.
What is the InChIKey of 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal?
The InChIKey is FNXSPDDNSSUWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-6-13(2,10-15)9-14-7-11-4-5-12(8-14)16-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal?
2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal has a molecular weight of 225.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal is sourced from PubChem (CID 66371570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).