ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane

C12H27NO — CID 168939178

IUPACethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
SMILESCC.CC.COCC12CC1N[C@H](C)C2
InChIInChI=1S/C8H15NO.2C2H6/c1-6-3-8(5-10-2)4-7(8)9-6;2*1-2/h6-7,9H,3-5H2,1-2H3;2*1-2H3/t6-,7?,8?;;/m1../s1
InChIKeyNUCGQFBNVCTNGM-YOBDIHPQSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds2

About ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane

ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane (PubChem CID 168939178) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
PubChem CID168939178
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
SMILESCC.CC.COCC12CC1N[C@H](C)C2
InChIInChI=1S/C8H15NO.2C2H6/c1-6-3-8(5-10-2)4-7(8)9-6;2*1-2/h6-7,9H,3-5H2,1-2H3;2*1-2H3/t6-,7?,8?;;/m1../s1
InChIKeyNUCGQFBNVCTNGM-YOBDIHPQSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane (CID 168939178) is ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane is CC.CC.COCC12CC1N[C@H](C)C2.
What is the InChIKey of ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane?
The InChIKey is NUCGQFBNVCTNGM-YOBDIHPQSA-N. The full InChI is InChI=1S/C8H15NO.2C2H6/c1-6-3-8(5-10-2)4-7(8)9-6;2*1-2/h6-7,9H,3-5H2,1-2H3;2*1-2H3/t6-,7?,8?;;/m1../s1.
What are the key properties of ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane?
ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane has a molecular weight of 201.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 168939178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).