3-hexan-3-yl-3-azabicyclo[3.1.0]hexane

C11H21N — CID 139359244

IUPAC3-hexan-3-yl-3-azabicyclo[3.1.0]hexane
SMILESCCCC(CC)N1CC2CC2C1
InChIInChI=1S/C11H21N/c1-3-5-11(4-2)12-7-9-6-10(9)8-12/h9-11H,3-8H2,1-2H3
InChIKeyBUJGZBAZANYFSB-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds4

About 3-hexan-3-yl-3-azabicyclo[3.1.0]hexane

3-hexan-3-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 139359244) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-hexan-3-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-hexan-3-yl-3-azabicyclo[3.1.0]hexane
PubChem CID139359244
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-hexan-3-yl-3-azabicyclo[3.1.0]hexane
SMILESCCCC(CC)N1CC2CC2C1
InChIInChI=1S/C11H21N/c1-3-5-11(4-2)12-7-9-6-10(9)8-12/h9-11H,3-8H2,1-2H3
InChIKeyBUJGZBAZANYFSB-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 12278592
6-Fluoro-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 89548891
6,6-Difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 89548905
4,4-Difluoro-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane
CID 89831162
2-(2,2-Dimethylpropyl)-4,4-difluoro-2-azabicyclo[3.1.0]hexane
CID 89831180
2-(2,2-Dimethylpropyl)-4-fluoro-4-methyl-2-azabicyclo[3.1.0]hexane
CID 117729940
6,6-Difluoro-2-propan-2-yl-2-azabicyclo[3.1.0]hexane
CID 117734210
6-Fluoro-6-methyl-2-propan-2-yl-2-azabicyclo[3.1.0]hexane
CID 117804152
3-Tert-butyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane
CID 121308231
3-Butan-2-yl-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 126580769
(1S,2R,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane
CID 126641302
(1S,2S,5R)-2-(fluoromethyl)-3,4-dimethyl-3-azabicyclo[3.1.0]hexane
CID 126641303

Frequently Asked Questions

What is the IUPAC name of 3-hexan-3-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-hexan-3-yl-3-azabicyclo[3.1.0]hexane (CID 139359244) is 3-hexan-3-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-hexan-3-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-hexan-3-yl-3-azabicyclo[3.1.0]hexane is CCCC(CC)N1CC2CC2C1.
What is the InChIKey of 3-hexan-3-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is BUJGZBAZANYFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-5-11(4-2)12-7-9-6-10(9)8-12/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-hexan-3-yl-3-azabicyclo[3.1.0]hexane?
3-hexan-3-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 167.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-3-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 139359244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).