6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane

C12H25N — CID 169193368

IUPAC6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane
SMILESCC.CC(C)N1CC2C(C1)C2(C)C
InChIInChI=1S/C10H19N.C2H6/c1-7(2)11-5-8-9(6-11)10(8,3)4;1-2/h7-9H,5-6H2,1-4H3;1-2H3
InChIKeyJOABHBMWHQTQBN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.01
Rot. Bonds1

About 6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane

6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane (PubChem CID 169193368) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane.

Molecular Properties

Compound Name6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane
PubChem CID169193368
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane
SMILESCC.CC(C)N1CC2C(C1)C2(C)C
InChIInChI=1S/C10H19N.C2H6/c1-7(2)11-5-8-9(6-11)10(8,3)4;1-2/h7-9H,5-6H2,1-4H3;1-2H3
InChIKeyJOABHBMWHQTQBN-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
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CID 174341942
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CID 171508934

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane?
The IUPAC name of 6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane (CID 169193368) is 6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane.
What is the SMILES notation for 6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane?
The canonical SMILES for 6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane is CC.CC(C)N1CC2C(C1)C2(C)C.
What is the InChIKey of 6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane?
The InChIKey is JOABHBMWHQTQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C2H6/c1-7(2)11-5-8-9(6-11)10(8,3)4;1-2/h7-9H,5-6H2,1-4H3;1-2H3.
What are the key properties of 6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane?
6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane has a molecular weight of 183.34 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane is sourced from PubChem (CID 169193368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).