3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane

C20H38N2+2 — CID 123412003

IUPAC3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane
SMILESCC1CC[N+]2(CCC(C3CC[N+]4(CCCC4)CC3C)CC2)C1
InChIInChI=1S/C20H38N2/c1-17-5-11-22(15-17)12-6-19(7-13-22)20-8-14-21(16-18(20)2)9-3-4-10-21/h17-20H,3-16H2,1-2H3/q+2
InChIKeyGGPFKOPPMIVQSB-UHFFFAOYSA-N
MW306.54 g/mol
LogP3.52
Rot. Bonds1

About 3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane

3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane (PubChem CID 123412003) has the molecular formula C20H38N2+2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane
PubChem CID123412003
Molecular FormulaC20H38N2+2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane
SMILESCC1CC[N+]2(CCC(C3CC[N+]4(CCCC4)CC3C)CC2)C1
InChIInChI=1S/C20H38N2/c1-17-5-11-22(15-17)12-6-19(7-13-22)20-8-14-21(16-18(20)2)9-3-4-10-21/h17-20H,3-16H2,1-2H3/q+2
InChIKeyGGPFKOPPMIVQSB-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-Propan-2-yl-1-azabicyclo[2.2.1]heptane
CID 20613780
1-[3-(3,4-Diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine
CID 21041944
1,1-Dimethyl-4-(1-methyl-1-propylpiperidin-1-ium-4-yl)piperidin-1-ium
CID 54148604
2,3-Diethyl-8-[3-[2-ethyl-3-[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-5-azoniaspiro[4.5]decan-8-yl]propyl]-5-azoniaspiro[4.5]decane
CID 59080082
1-Propyl-4-(1-propylpiperidin-4-yl)piperidine
CID 59086617
8-[(2,3-Diethyl-2,3-dimethyl-5-azoniaspiro[4.5]decan-8-yl)methyl]-2,3-diethyl-2,3-dimethyl-5-azoniaspiro[4.5]decane
CID 59110829
1-[(2S,3S)-4-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-ylpentyl]piperidine
CID 59567137
1-Butyl-4-(1-butylpiperidin-4-yl)piperidine
CID 59905254
1,3,4-Triethyl-1-[4-(1,3,4-triethylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 90241814
1-[4-(3,4-Diethylpyrrolidin-1-yl)butyl]-3,4-diethylpyrrolidine
CID 90241940
1-[6-(3,4-Diethyl-1-propylpyrrolidin-1-ium-1-yl)hexyl]-3,4-diethyl-1-propylpyrrolidin-1-ium
CID 90242090
1,3,4-Triethyl-1-[3-(1,3,4-triethylpyrrolidin-1-ium-1-yl)propyl]pyrrolidin-1-ium
CID 90242284

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane?
The IUPAC name of 3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane (CID 123412003) is 3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane?
The canonical SMILES for 3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane is CC1CC[N+]2(CCC(C3CC[N+]4(CCCC4)CC3C)CC2)C1.
What is the InChIKey of 3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane?
The InChIKey is GGPFKOPPMIVQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-17-5-11-22(15-17)12-6-19(7-13-22)20-8-14-21(16-18(20)2)9-3-4-10-21/h17-20H,3-16H2,1-2H3/q+2.
What are the key properties of 3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane?
3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane has a molecular weight of 306.54 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane is sourced from PubChem (CID 123412003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).