ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane

C10H21NO — CID 169243186

IUPACethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC.CCN1C2CCC1COC2
InChIInChI=1S/C8H15NO.C2H6/c1-2-9-7-3-4-8(9)6-10-5-7;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyDGNNVKUSWUVRKW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds1

About ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane

ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 169243186) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Nameethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID169243186
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC.CCN1C2CCC1COC2
InChIInChI=1S/C8H15NO.C2H6/c1-2-9-7-3-4-8(9)6-10-5-7;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyDGNNVKUSWUVRKW-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane
CID 90360516
8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083724
(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337296
4-(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)morpholine
CID 71229178
4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)butan-1-amine
CID 170104074
8-[(2R)-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083312
8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58110399
ethane;3-methyl-1-(oxetan-3-yl)azetidine
CID 144739984
ethane;1-(oxetan-3-yl)-4-propylpiperidine
CID 144662660
1-chloro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-2-ol
CID 164661066
[(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane
CID 177330814
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644

Frequently Asked Questions

What is the IUPAC name of ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane (CID 169243186) is ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane is CC.CCN1C2CCC1COC2.
What is the InChIKey of ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is DGNNVKUSWUVRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-2-9-7-3-4-8(9)6-10-5-7;1-2/h7-8H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane?
ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 171.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 169243186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).