1,5-dimethyl-3-azabicyclo[3.1.0]hexane

C7H13N — CID 23049859

IUPAC1,5-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCC12CNCC1(C)C2
InChIInChI=1S/C7H13N/c1-6-3-7(6,2)5-8-4-6/h8H,3-5H2,1-2H3
InChIKeyYFTAPWVRSFLNCD-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.01
Rot. Bonds

About 1,5-dimethyl-3-azabicyclo[3.1.0]hexane

1,5-dimethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 23049859) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1,5-dimethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,5-dimethyl-3-azabicyclo[3.1.0]hexane
PubChem CID23049859
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1,5-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCC12CNCC1(C)C2
InChIInChI=1S/C7H13N/c1-6-3-7(6,2)5-8-4-6/h8H,3-5H2,1-2H3
InChIKeyYFTAPWVRSFLNCD-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1,5-dimethyl-3-azabicyclo[3.1.0]hexane (CID 23049859) is 1,5-dimethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,5-dimethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1,5-dimethyl-3-azabicyclo[3.1.0]hexane is CC12CNCC1(C)C2.
What is the InChIKey of 1,5-dimethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is YFTAPWVRSFLNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-3-7(6,2)5-8-4-6/h8H,3-5H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-azabicyclo[3.1.0]hexane?
1,5-dimethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 111.19 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 23049859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).