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

C14H27N — CID 20702447

IUPAC1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane
SMILESCN1C(C)(C)C2(C)C(C)(C)C2(C)C1(C)C
InChIInChI=1S/C14H27N/c1-10(2)13(7)11(3,4)15(9)12(5,6)14(10,13)8/h1-9H3
InChIKeyOEEZNNTUVKEGOE-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.54
Rot. Bonds

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

1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 20702447) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane
PubChem CID20702447
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane
SMILESCN1C(C)(C)C2(C)C(C)(C)C2(C)C1(C)C
InChIInChI=1S/C14H27N/c1-10(2)13(7)11(3,4)15(9)12(5,6)14(10,13)8/h1-9H3
InChIKeyOEEZNNTUVKEGOE-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane (CID 20702447) is 1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane is CN1C(C)(C)C2(C)C(C)(C)C2(C)C1(C)C.
What is the InChIKey of 1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is OEEZNNTUVKEGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10(2)13(7)11(3,4)15(9)12(5,6)14(10,13)8/h1-9H3.
What are the key properties of 1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane?
1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 209.38 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 20702447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).