ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane

C17H34N2 — CID 143143747

IUPACethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
SMILESCC.CN1C2CCC1CC2.CN1CC2CCC1CC2
InChIInChI=1S/C8H15N.C7H13N.C2H6/c1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6;1-2/h7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;1-2H3
InChIKeyUGJWICNZETWUHF-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.76
Rot. Bonds

About ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane

ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane (PubChem CID 143143747) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Nameethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
PubChem CID143143747
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Nameethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
SMILESCC.CN1C2CCC1CC2.CN1CC2CCC1CC2
InChIInChI=1S/C8H15N.C7H13N.C2H6/c1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6;1-2/h7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;1-2H3
InChIKeyUGJWICNZETWUHF-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

1-(3-Methylcyclohexyl)-1-[5-[1-(3-methylcyclohexyl)piperidin-1-ium-1-yl]pentyl]piperidin-1-ium
CID 89965023
N,N-dimethylcyclohexanamine;2-methyl-2-azabicyclo[2.2.2]octane
CID 143143638
7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;N-methyl-1-(3-methylcyclopentyl)methanamine
CID 157049710
Ethane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
CID 157797372
2-Methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158361324
7-Methyl-7-azabicyclo[2.2.1]heptane;bis(2-methyl-2-azabicyclo[2.2.2]octane)
CID 160737728
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 161373365
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine
CID 161545680
1-(Cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 167613426
N-methyl-N-[[4-[(1S,4S)-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]cyclohexyl]methyl]propan-2-amine
CID 176612265

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane (CID 143143747) is ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane is CC.CN1C2CCC1CC2.CN1CC2CCC1CC2.
What is the InChIKey of ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?
The InChIKey is UGJWICNZETWUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C7H13N.C2H6/c1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6;1-2/h7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?
ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane has a molecular weight of 266.47 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 143143747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).