bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane

C14H20BrN — CID 166093012

IUPACbromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESBrc1ccccc1.CC(C)N1CC2CC2C1
InChIInChI=1S/C8H15N.C6H5Br/c1-6(2)9-4-7-3-8(7)5-9;7-6-4-2-1-3-5-6/h6-8H,3-5H2,1-2H3;1-5H
InChIKeyCWKWOHGUOCREAI-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.80
Rot. Bonds1

About bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane

bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 166093012) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Namebromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID166093012
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Namebromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESBrc1ccccc1.CC(C)N1CC2CC2C1
InChIInChI=1S/C8H15N.C6H5Br/c1-6(2)9-4-7-3-8(7)5-9;7-6-4-2-1-3-5-6/h6-8H,3-5H2,1-2H3;1-5H
InChIKeyCWKWOHGUOCREAI-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 166093012) is bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane is Brc1ccccc1.CC(C)N1CC2CC2C1.
What is the InChIKey of bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is CWKWOHGUOCREAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C6H5Br/c1-6(2)9-4-7-3-8(7)5-9;7-6-4-2-1-3-5-6/h6-8H,3-5H2,1-2H3;1-5H.
What are the key properties of bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 282.22 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 166093012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).