ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane

C10H21NO — CID 142053051

IUPACethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane
SMILESCC.CCCC1OC2CNCC12
InChIInChI=1S/C8H15NO.C2H6/c1-2-3-7-6-4-9-5-8(6)10-7;1-2/h6-9H,2-5H2,1H3;1-2H3
InChIKeyTZANMYRTGVWIHF-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds2

About ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane

ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane (PubChem CID 142053051) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Nameethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane
PubChem CID142053051
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane
SMILESCC.CCCC1OC2CNCC12
InChIInChI=1S/C8H15NO.C2H6/c1-2-3-7-6-4-9-5-8(6)10-7;1-2/h6-9H,2-5H2,1H3;1-2H3
InChIKeyTZANMYRTGVWIHF-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane 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

(7aS)-3-ethyl-2-propyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 89284134
(2S,3S)-2-methyl-3-propyloxirane
CID 22844896
ethane;3-methyl-4-propylpyrrolidine
CID 166487820
bicyclo[3.1.0]hexa-1(6),2,4-triene;3-propyl-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole
CID 70634014
(2S,3R)-2-(bromomethyl)-3-propyloxirane
CID 11073978
(3R)-3,5-dimethyl-2-propyloxolane;ethane
CID 156747522
2-ethyl-6-heptylmorpholine
CID 65122672
3-(4-propylpiperidin-3-yl)oxiran-2-amine
CID 123367852
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
2,6-dimethylmorpholine;propane
CID 143985013
6-propyl-7-oxa-5,14-diazatetracyclo[10.3.1.02,10.04,8]hexadecane
CID 141013764
(2R,3R)-2-(2-bromoethyl)-3-propyl-1,4-dioxane
CID 97304593

Frequently Asked Questions

What is the IUPAC name of ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane?
The IUPAC name of ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane (CID 142053051) is ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane is CC.CCCC1OC2CNCC12.
What is the InChIKey of ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane?
The InChIKey is TZANMYRTGVWIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-2-3-7-6-4-9-5-8(6)10-7;1-2/h6-9H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane?
ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane has a molecular weight of 171.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-propyl-6-oxa-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 142053051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).