cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine

C10H16N2O — CID 66370732

IUPACcyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CC2CCC(C1)O2
InChIInChI=1S/C10H16N2O/c11-10(7-1-2-7)12-5-8-3-4-9(6-12)13-8/h7-9,11H,1-6H2/b11-10+
InChIKeyYUZFATCPMISMOQ-ZHACJKMWSA-N
MW180.25 g/mol
LogP1.24
Rot. Bonds1

About cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine

cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine (PubChem CID 66370732) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine.

Molecular Properties

Compound Namecyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine
PubChem CID66370732
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namecyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CC2CCC(C1)O2
InChIInChI=1S/C10H16N2O/c11-10(7-1-2-7)12-5-8-3-4-9(6-12)13-8/h7-9,11H,1-6H2/b11-10+
InChIKeyYUZFATCPMISMOQ-ZHACJKMWSA-N
XLogP1.24
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine?
The IUPAC name of cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine (CID 66370732) is cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine.
What is the SMILES notation for cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine?
The canonical SMILES for cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine is [H]/N=C(\C1CC1)N1CC2CCC(C1)O2.
What is the InChIKey of cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine?
The InChIKey is YUZFATCPMISMOQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H16N2O/c11-10(7-1-2-7)12-5-8-3-4-9(6-12)13-8/h7-9,11H,1-6H2/b11-10+.
What are the key properties of cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine?
cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine has a molecular weight of 180.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine is sourced from PubChem (CID 66370732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).