ethane;1-methyl-2-azabicyclo[2.1.1]hexane

C8H17N — CID 178126989

IUPACethane;1-methyl-2-azabicyclo[2.1.1]hexane
SMILESCC.CC12CC(CN1)C2
InChIInChI=1S/C6H11N.C2H6/c1-6-2-5(3-6)4-7-6;1-2/h5,7H,2-4H2,1H3;1-2H3
InChIKeyCBRNXKFXFKNRQA-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds

About ethane;1-methyl-2-azabicyclo[2.1.1]hexane

ethane;1-methyl-2-azabicyclo[2.1.1]hexane (PubChem CID 178126989) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is ethane;1-methyl-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Nameethane;1-methyl-2-azabicyclo[2.1.1]hexane
PubChem CID178126989
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameethane;1-methyl-2-azabicyclo[2.1.1]hexane
SMILESCC.CC12CC(CN1)C2
InChIInChI=1S/C6H11N.C2H6/c1-6-2-5(3-6)4-7-6;1-2/h5,7H,2-4H2,1H3;1-2H3
InChIKeyCBRNXKFXFKNRQA-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-2-azabicyclo[2.1.1]hexane
CID 11788264
1-Methyl-2-azabicyclo(2.1.1)hexane hydrochloride
CID 55300816
1,4-Dimethyl-2-azabicyclo(2.1.1)hexane
CID 164153881
2-Azabicyclo(2.1.1)hexane
CID 22101702
1-(Fluoromethyl)-2-azabicyclo(2.1.1)hexane hydrochloride
CID 122164127
4-Fluoro-1-methyl-2-azabicyclo[2.1.1]hexane
CID 144745432
1-(Fluoromethyl)-2-azabicyclo[2.1.1]hexane
CID 122164128
(2-Tert-butyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine
CID 10975892
2-Azoniabicyclo[2.1.1]hexane
CID 59346884
2-Methyl-N-((3-methylcyclobutyl)methyl)propan-2-amine
CID 64994826
2,5-Dimethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine
CID 68883231
1-Tert-butyl-2-azabicyclo[2.1.1]hexane
CID 69164974

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-azabicyclo[2.1.1]hexane?
The IUPAC name of ethane;1-methyl-2-azabicyclo[2.1.1]hexane (CID 178126989) is ethane;1-methyl-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for ethane;1-methyl-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for ethane;1-methyl-2-azabicyclo[2.1.1]hexane is CC.CC12CC(CN1)C2.
What is the InChIKey of ethane;1-methyl-2-azabicyclo[2.1.1]hexane?
The InChIKey is CBRNXKFXFKNRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H6/c1-6-2-5(3-6)4-7-6;1-2/h5,7H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-2-azabicyclo[2.1.1]hexane?
ethane;1-methyl-2-azabicyclo[2.1.1]hexane has a molecular weight of 127.23 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 178126989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).