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

C7H13N — CID 58944885

IUPAC1,3-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2CC2(C)C1
InChIInChI=1S/C7H13N/c1-7-3-6(7)4-8(2)5-7/h6H,3-5H2,1-2H3
InChIKeyCAEAVTHQAYVVTE-UHFFFAOYSA-N
MW111.19 g/mol
LogP0.96
Rot. Bonds

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

1,3-dimethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 58944885) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1,3-dimethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,3-dimethyl-3-azabicyclo[3.1.0]hexane
PubChem CID58944885
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1,3-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2CC2(C)C1
InChIInChI=1S/C7H13N/c1-7-3-6(7)4-8(2)5-7/h6H,3-5H2,1-2H3
InChIKeyCAEAVTHQAYVVTE-UHFFFAOYSA-N
XLogP0.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 147184250
ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane
CID 91180969
(3aS,6aR)-5-tert-butyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 152807256
(3aR,6aS)-5-tert-butyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 131971707
ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 142521754
1,3-dimethyl-3-azabicyclo[3.1.1]heptane;ethane
CID 168882588
1,2,4,7-tetramethyl-4,7-diazatricyclo[4.2.1.02,8]nonane
CID 144707873
(3S)-1,5,5-trimethylpiperidin-3-ol
CID 166894829
5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine
CID 143040281
1-[(3aR)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 143653272
(4S)-1,3,3,4-tetramethylpyrrolidine
CID 168820541
2,3a-dimethyl-5-[(1-methylpiperidin-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 167009734

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1,3-dimethyl-3-azabicyclo[3.1.0]hexane (CID 58944885) is 1,3-dimethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,3-dimethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1,3-dimethyl-3-azabicyclo[3.1.0]hexane is CN1CC2CC2(C)C1.
What is the InChIKey of 1,3-dimethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is CAEAVTHQAYVVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7-3-6(7)4-8(2)5-7/h6H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-3-azabicyclo[3.1.0]hexane?
1,3-dimethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 111.19 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 58944885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).