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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Related Compounds

1,5-dimethyl-3-azabicyclo[3.2.0]heptane
CID 23049848
ethane;2,2,6,6-tetramethylpiperazine
CID 178166936
3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 126796964
1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 45120452
1,3,3,5-tetramethylbicyclo[3.1.0]hexane
CID 174953596
3-azatricyclo[3.1.1.11,5]octane
CID 105426981
1,4-dimethylbicyclo[2.1.0]pentane;ethane
CID 142181185
lithium 2,2,6,6-tetramethylpiperazin-1-ide
CID 46220878
ethane;1,2,2,6,6-pentamethylpiperazine
CID 168918008
(3aS,6aR)-5-cyclopropyl-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 125453636
3-methoxy-3-methylazetidine;hydrochloride
CID 53346546
3,3,5,5-tetramethylpiperidine-4-thione
CID 171980151

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).