ethene;6-methyl-3-azabicyclo[3.1.1]heptane

C9H17N — CID 164585324

IUPACethene;6-methyl-3-azabicyclo[3.1.1]heptane
SMILESC=C.CC1C2CNCC1C2
InChIInChI=1S/C7H13N.C2H4/c1-5-6-2-7(5)4-8-3-6;1-2/h5-8H,2-4H2,1H3;1-2H2
InChIKeyMMRZRSCLJFUFBY-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.66
Rot. Bonds

About ethene;6-methyl-3-azabicyclo[3.1.1]heptane

ethene;6-methyl-3-azabicyclo[3.1.1]heptane (PubChem CID 164585324) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is ethene;6-methyl-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Nameethene;6-methyl-3-azabicyclo[3.1.1]heptane
PubChem CID164585324
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nameethene;6-methyl-3-azabicyclo[3.1.1]heptane
SMILESC=C.CC1C2CNCC1C2
InChIInChI=1S/C7H13N.C2H4/c1-5-6-2-7(5)4-8-3-6;1-2/h5-8H,2-4H2,1H3;1-2H2
InChIKeyMMRZRSCLJFUFBY-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,5R)-8-methyl-3-azabicyclo[3.2.1]octane
CID 139316349
ethane;8-methyl-3-azabicyclo[3.2.1]octane
CID 155722306
3-azabicyclo[3.1.0]hexane;dihydrochloride
CID 140512684
3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane
CID 143582743
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789
3-cyclopropyl-5-methylpiperidine
CID 82594091
ethane;3-methylazetidine
CID 90730870
(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
azane;3,5-dimethylpiperidine
CID 23174858
5-methylsulfanyl-3-azabicyclo[5.1.0]octane
CID 170074183
(2S,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride
CID 163337889
3-cycloheptyl-5-methylpiperidine
CID 106781026

Frequently Asked Questions

What is the IUPAC name of ethene;6-methyl-3-azabicyclo[3.1.1]heptane?
The IUPAC name of ethene;6-methyl-3-azabicyclo[3.1.1]heptane (CID 164585324) is ethene;6-methyl-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for ethene;6-methyl-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for ethene;6-methyl-3-azabicyclo[3.1.1]heptane is C=C.CC1C2CNCC1C2.
What is the InChIKey of ethene;6-methyl-3-azabicyclo[3.1.1]heptane?
The InChIKey is MMRZRSCLJFUFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2H4/c1-5-6-2-7(5)4-8-3-6;1-2/h5-8H,2-4H2,1H3;1-2H2.
What are the key properties of ethene;6-methyl-3-azabicyclo[3.1.1]heptane?
ethene;6-methyl-3-azabicyclo[3.1.1]heptane has a molecular weight of 139.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;6-methyl-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 164585324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).