ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane

C10H21N — CID 91180969

IUPACethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane
SMILESCC.CCN1CC2CC2(C)C1
InChIInChI=1S/C8H15N.C2H6/c1-3-9-5-7-4-8(7,2)6-9;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyLCNWPGSDHUGXQG-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.37
Rot. Bonds1

About ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane

ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 91180969) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID91180969
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane
SMILESCC.CCN1CC2CC2(C)C1
InChIInChI=1S/C8H15N.C2H6/c1-3-9-5-7-4-8(7,2)6-9;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyLCNWPGSDHUGXQG-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 125451920
5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131631953
(3aS,6aR)-5-tert-butyl-2-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 167645455
(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)alumane
CID 147614722
(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 147184250
1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 58944885
3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 130146772
1-ethyl-4,4-dimethylpyrrolidin-3-ol
CID 121207274
(3aR,6aR)-5-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole
CID 15644941
ethane;1-ethyl-3-fluoro-3-methylazetidine
CID 178155660
2-[(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 138377712

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane (CID 91180969) is ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane is CC.CCN1CC2CC2(C)C1.
What is the InChIKey of ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is LCNWPGSDHUGXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-3-9-5-7-4-8(7,2)6-9;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane?
ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 155.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 91180969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).