N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C12H23NO2 — CID 64862723

IUPACN-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCOCCNC1C2CCOC2C1(C)C
InChIInChI=1S/C12H23NO2/c1-4-14-8-6-13-10-9-5-7-15-11(9)12(10,2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyOMUYDHMOJPNLJY-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.43
Rot. Bonds5

About N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64862723) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64862723
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCOCCNC1C2CCOC2C1(C)C
InChIInChI=1S/C12H23NO2/c1-4-14-8-6-13-10-9-5-7-15-11(9)12(10,2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyOMUYDHMOJPNLJY-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64862723) is N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CCOCCNC1C2CCOC2C1(C)C.
What is the InChIKey of N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is OMUYDHMOJPNLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-14-8-6-13-10-9-5-7-15-11(9)12(10,2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 213.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64862723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).