ethane;8-methyl-8-azabicyclo[5.1.0]octane

C10H21N — CID 90889945

IUPACethane;8-methyl-8-azabicyclo[5.1.0]octane
SMILESCC.CN1C2CCCCCC21
InChIInChI=1S/C8H15N.C2H6/c1-9-7-5-3-2-4-6-8(7)9;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyPWXBXGGMLQTNIB-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.66
Rot. Bonds

About ethane;8-methyl-8-azabicyclo[5.1.0]octane

ethane;8-methyl-8-azabicyclo[5.1.0]octane (PubChem CID 90889945) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;8-methyl-8-azabicyclo[5.1.0]octane.

Molecular Properties

Compound Nameethane;8-methyl-8-azabicyclo[5.1.0]octane
PubChem CID90889945
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;8-methyl-8-azabicyclo[5.1.0]octane
SMILESCC.CN1C2CCCCCC21
InChIInChI=1S/C8H15N.C2H6/c1-9-7-5-3-2-4-6-8(7)9;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyPWXBXGGMLQTNIB-UHFFFAOYSA-N
XLogP2.66
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5,10-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenazine
CID 58400586
5-methyl-5-azabicyclo[2.1.0]pentane
CID 102031260
2-methyl-2-azatricyclo[11.7.0.03,9]icosane
CID 155380713
(4aS,5aR,9aS,10aR)-10-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazine
CID 7707595
(4aS,5aR,9aS,10aS)-10-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazine
CID 11913752
(4aS,5aS,9aR,10aR)-10-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazine
CID 7707597
(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine
CID 100964186
10-methyl-1,10-diazatricyclo[9.6.0.02,9]heptadecane
CID 166733015
10-methyl-2,10-diazatricyclo[9.8.0.02,9]nonadecane
CID 167191312
(4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol
CID 125496028
(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane
CID 126565755
5,6-dimethyl-5-azabicyclo[2.1.1]hexane
CID 59550543

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-8-azabicyclo[5.1.0]octane?
The IUPAC name of ethane;8-methyl-8-azabicyclo[5.1.0]octane (CID 90889945) is ethane;8-methyl-8-azabicyclo[5.1.0]octane.
What is the SMILES notation for ethane;8-methyl-8-azabicyclo[5.1.0]octane?
The canonical SMILES for ethane;8-methyl-8-azabicyclo[5.1.0]octane is CC.CN1C2CCCCCC21.
What is the InChIKey of ethane;8-methyl-8-azabicyclo[5.1.0]octane?
The InChIKey is PWXBXGGMLQTNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-9-7-5-3-2-4-6-8(7)9;1-2/h7-8H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-8-azabicyclo[5.1.0]octane?
ethane;8-methyl-8-azabicyclo[5.1.0]octane has a molecular weight of 155.28 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-8-azabicyclo[5.1.0]octane is sourced from PubChem (CID 90889945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).