2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine

C7H14N2O — CID 122687134

IUPAC2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine
SMILESNCCN1CCOC2CC21
InChIInChI=1S/C7H14N2O/c8-1-2-9-3-4-10-7-5-6(7)9/h6-7H,1-5,8H2
InChIKeyJTGVHVHSZGGAAN-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.58
Rot. Bonds2

About 2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine

2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine (PubChem CID 122687134) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine
PubChem CID122687134
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine
SMILESNCCN1CCOC2CC21
InChIInChI=1S/C7H14N2O/c8-1-2-9-3-4-10-7-5-6(7)9/h6-7H,1-5,8H2
InChIKeyJTGVHVHSZGGAAN-UHFFFAOYSA-N
XLogP-0.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine 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

5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 130934127
5-but-3-enyl-2-oxa-5-azabicyclo[4.1.0]heptane
CID 126995064
5-(2-methylpropyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 126997699
ethane;5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;sulfane
CID 153330745
5-(1H-pyrazol-4-ylmethyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 130710664
2-(2-methylazetidin-1-yl)ethanamine
CID 79677018
4-[2-(1,3-dioxan-2-yl)ethyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 66475128
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-methylbutan-1-amine
CID 65232654
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4,4-dimethylpentan-3-amine
CID 62623730
4-(6-chlorohexyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 62227452
2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-1-(aminomethyl)cyclopentan-1-ol
CID 79587643
ethyl 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propanoate
CID 61370843

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine?
The IUPAC name of 2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine (CID 122687134) is 2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine.
What is the SMILES notation for 2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine?
The canonical SMILES for 2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine is NCCN1CCOC2CC21.
What is the InChIKey of 2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine?
The InChIKey is JTGVHVHSZGGAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c8-1-2-9-3-4-10-7-5-6(7)9/h6-7H,1-5,8H2.
What are the key properties of 2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine?
2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine has a molecular weight of 142.20 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)ethanamine is sourced from PubChem (CID 122687134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).