7-methyl-6-azatricyclo[4.2.0.02,4]octane

C8H13N — CID 163916457

IUPAC7-methyl-6-azatricyclo[4.2.0.02,4]octane
SMILESCC1CC2C3CC3CN12
InChIInChI=1S/C8H13N/c1-5-2-8-7-3-6(7)4-9(5)8/h5-8H,2-4H2,1H3
InChIKeyQWRHPXVTBXSCNT-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.10
Rot. Bonds

About 7-methyl-6-azatricyclo[4.2.0.02,4]octane

7-methyl-6-azatricyclo[4.2.0.02,4]octane (PubChem CID 163916457) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 7-methyl-6-azatricyclo[4.2.0.02,4]octane.

Molecular Properties

Compound Name7-methyl-6-azatricyclo[4.2.0.02,4]octane
PubChem CID163916457
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name7-methyl-6-azatricyclo[4.2.0.02,4]octane
SMILESCC1CC2C3CC3CN12
InChIInChI=1S/C8H13N/c1-5-2-8-7-3-6(7)4-9(5)8/h5-8H,2-4H2,1H3
InChIKeyQWRHPXVTBXSCNT-UHFFFAOYSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 59917347
(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)phosphane
CID 145019266
2-(1,5-dimethylpyrrolidin-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
CID 130961406
2-(2-bicyclo[3.1.0]hexanyl)-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 131002506
8-methyl-6,8-diazatricyclo[4.4.0.02,4]decane
CID 163390397
3-methyl-2-azabicyclo[3.1.0]hexan-2-amine
CID 77335199
trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
CID 102732334
6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane
CID 171591162
(2R,4S,8S,10R)-2,4,8,10-tetramethyl-1,5,7,11-tetrazatetracyclo[9.2.1.05,13.07,12]tetradecane
CID 15691263
(1S,5R)-3-(4-but-2-ynylcyclohexyl)-2-methyl-3-azabicyclo[3.1.0]hexane
CID 69121197
(1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane
CID 129230068
1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
CID 77427420

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-azatricyclo[4.2.0.02,4]octane?
The IUPAC name of 7-methyl-6-azatricyclo[4.2.0.02,4]octane (CID 163916457) is 7-methyl-6-azatricyclo[4.2.0.02,4]octane.
What is the SMILES notation for 7-methyl-6-azatricyclo[4.2.0.02,4]octane?
The canonical SMILES for 7-methyl-6-azatricyclo[4.2.0.02,4]octane is CC1CC2C3CC3CN12.
What is the InChIKey of 7-methyl-6-azatricyclo[4.2.0.02,4]octane?
The InChIKey is QWRHPXVTBXSCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-5-2-8-7-3-6(7)4-9(5)8/h5-8H,2-4H2,1H3.
What are the key properties of 7-methyl-6-azatricyclo[4.2.0.02,4]octane?
7-methyl-6-azatricyclo[4.2.0.02,4]octane has a molecular weight of 123.20 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-azatricyclo[4.2.0.02,4]octane is sourced from PubChem (CID 163916457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).