1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane

C12H23N — CID 20728508

IUPAC1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane
SMILESCC1N(C)C(C)C2(C)C(C)(C)C12C
InChIInChI=1S/C12H23N/c1-8-11(5)10(3,4)12(11,6)9(2)13(8)7/h8-9H,1-7H3
InChIKeyFQJXFLAMABHMPT-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.76
Rot. Bonds

About 1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane

1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 20728508) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane
PubChem CID20728508
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane
SMILESCC1N(C)C(C)C2(C)C(C)(C)C12C
InChIInChI=1S/C12H23N/c1-8-11(5)10(3,4)12(11,6)9(2)13(8)7/h8-9H,1-7H3
InChIKeyFQJXFLAMABHMPT-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane (CID 20728508) is 1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane is CC1N(C)C(C)C2(C)C(C)(C)C12C.
What is the InChIKey of 1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is FQJXFLAMABHMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-8-11(5)10(3,4)12(11,6)9(2)13(8)7/h8-9H,1-7H3.
What are the key properties of 1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane?
1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 181.32 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,6-heptamethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 20728508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).