4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane

C23H50N4+2 — CID 162289140

IUPAC4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane
SMILESCC[N+]1(CC)CC(C)(C)N(C(C)C)C12N(C(C)C)CC(C)(C)[N+]2(CC)CC
InChIInChI=1S/C23H50N4/c1-13-26(14-2)18-21(9,10)25(20(7)8)23(26)24(19(5)6)17-22(11,12)27(23,15-3)16-4/h19-20H,13-18H2,1-12H3/q+2
InChIKeyBKNSOASDQJGXBG-UHFFFAOYSA-N
MW382.68 g/mol
LogP4.32
Rot. Bonds6

About 4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane

4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane (PubChem CID 162289140) has the molecular formula C23H50N4+2 and a molecular weight of 382.68 g/mol. Its IUPAC name is 4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane.

Molecular Properties

Compound Name4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane
PubChem CID162289140
Molecular FormulaC23H50N4+2
Molecular Weight382.68 g/mol
Exact Mass382.40
IUPAC Name4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane
SMILESCC[N+]1(CC)CC(C)(C)N(C(C)C)C12N(C(C)C)CC(C)(C)[N+]2(CC)CC
InChIInChI=1S/C23H50N4/c1-13-26(14-2)18-21(9,10)25(20(7)8)23(26)24(19(5)6)17-22(11,12)27(23,15-3)16-4/h19-20H,13-18H2,1-12H3/q+2
InChIKeyBKNSOASDQJGXBG-UHFFFAOYSA-N
XLogP4.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.68
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane with MolForge

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Related Compounds

(4S,9R)-1,6-di(butan-2-yl)-4,9-diethyl-2,2,4,8,8,9-hexamethyl-1,6-diaza-4,9-diazoniaspiro[4.4]nonane;(4S,9R)-4,9-diethyl-2,2,4,8,8,9-hexamethyl-1,6-bis(2-methylpropyl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane;(4S,9R)-4,9-diethyl-2,2,4,8,8,9-hexamethyl-1,6-dipropyl-1,6-diaza-4,9-diazoniaspiro[4.4]nonane;1,4,4,6,9,9-hexaethyl-2,2,8,8-tetramethyl-1,6-diaza-4,9-diazoniaspiro[4.4]nonane;1,4,4,9,9-pentaethyl-3,3,6,7,7-pentamethyl-1,6-diaza-4,9-diazoniaspiro[4.4]nonane;4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane
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Frequently Asked Questions

What is the IUPAC name of 4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane?
The IUPAC name of 4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane (CID 162289140) is 4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane.
What is the SMILES notation for 4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane?
The canonical SMILES for 4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane is CC[N+]1(CC)CC(C)(C)N(C(C)C)C12N(C(C)C)CC(C)(C)[N+]2(CC)CC.
What is the InChIKey of 4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane?
The InChIKey is BKNSOASDQJGXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N4/c1-13-26(14-2)18-21(9,10)25(20(7)8)23(26)24(19(5)6)17-22(11,12)27(23,15-3)16-4/h19-20H,13-18H2,1-12H3/q+2.
What are the key properties of 4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane?
4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane has a molecular weight of 382.68 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,9,9-tetraethyl-2,2,8,8-tetramethyl-1,6-di(propan-2-yl)-1,6-diaza-4,9-diazoniaspiro[4.4]nonane is sourced from PubChem (CID 162289140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).