ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane

C12H27N2+ — CID 156749858

IUPACethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane
SMILESCC.CCN1CCC2(CC1)C[NH+](C)C2
InChIInChI=1S/C10H20N2.C2H6/c1-3-12-6-4-10(5-7-12)8-11(2)9-10;1-2/h3-9H2,1-2H3;1-2H3/p+1
InChIKeyLNOSJFDUWILNBW-UHFFFAOYSA-O
MW199.36 g/mol
LogP0.64
Rot. Bonds1

About ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane

ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane (PubChem CID 156749858) has the molecular formula C12H27N2+ and a molecular weight of 199.36 g/mol. Its IUPAC name is ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane
PubChem CID156749858
Molecular FormulaC12H27N2+
Molecular Weight199.36 g/mol
Exact Mass199.22
IUPAC Nameethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane
SMILESCC.CCN1CCC2(CC1)C[NH+](C)C2
InChIInChI=1S/C10H20N2.C2H6/c1-3-12-6-4-10(5-7-12)8-11(2)9-10;1-2/h3-9H2,1-2H3;1-2H3/p+1
InChIKeyLNOSJFDUWILNBW-UHFFFAOYSA-O
XLogP0.64
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;2-ethyl-7-pent-2-ynyl-2,7-diazaspiro[3.5]nonane
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1-ethyl-4-fluoro-4-propan-2-ylpiperidine
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Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane?
The IUPAC name of ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane (CID 156749858) is ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane?
The canonical SMILES for ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane is CC.CCN1CCC2(CC1)C[NH+](C)C2.
What is the InChIKey of ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane?
The InChIKey is LNOSJFDUWILNBW-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2.C2H6/c1-3-12-6-4-10(5-7-12)8-11(2)9-10;1-2/h3-9H2,1-2H3;1-2H3/p+1.
What are the key properties of ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane?
ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane has a molecular weight of 199.36 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane is sourced from PubChem (CID 156749858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).