diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium

C83H185N15O+10 — CID 162073579

IUPACdiethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium
SMILESCC(C)[N+](C)(C)C.CC(C)[N+]1(C)CCCCC1.CC(C)[N+]1(C)CCN(C)CC1.CC(C)[N+]1(C)CCOCC1.CC(C)[N+]12CC3CC(CC(C3)C1)C2.CC(C)[N+]12CCC(CC1)CC2.CC(C)[N+]12CCN(CC1)CC2.CC(C)[N+]12CN3CN(CN(C3)C1)C2.CC(C)[NH3+].CC[N+](C)(CC)C(C)C
InChIInChI=1S/C12H22N.C10H20N.C9H19N4.C9H19N2.C9H21N2.C9H20N.C8H18NO.C8H20N.C6H16N.C3H9N/c1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-9(2)11-6-3-10(4-7-11)5-8-11;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-9(2)11-6-3-10(4-7-11)5-8-11;1-9(2)11(4)7-5-10(3)6-8-11;1-9(2)10(3)7-5-4-6-8-10;1-8(2)9(3)4-6-10-7-5-9;1-6-9(5,7-2)8(3)4;1-6(2)7(3,4)5;1-3(2)4/h9-12H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8H,6-7H2,1-5H3;6H,1-5H3;3H,4H2,1-2H3/q9*+1;/p+1
InChIKeyZBKJQUCGKBTNEP-UHFFFAOYSA-O
MW1409.50 g/mol
LogP11.04
Rot. Bonds11

About diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium

diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium (PubChem CID 162073579) has the molecular formula C83H185N15O+10 and a molecular weight of 1409.50 g/mol. Its IUPAC name is diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium.

Molecular Properties

Compound Namediethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium
PubChem CID162073579
Molecular FormulaC83H185N15O+10
Molecular Weight1409.50 g/mol
Exact Mass1408.48
IUPAC Namediethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium
SMILESCC(C)[N+](C)(C)C.CC(C)[N+]1(C)CCCCC1.CC(C)[N+]1(C)CCN(C)CC1.CC(C)[N+]1(C)CCOCC1.CC(C)[N+]12CC3CC(CC(C3)C1)C2.CC(C)[N+]12CCC(CC1)CC2.CC(C)[N+]12CCN(CC1)CC2.CC(C)[N+]12CN3CN(CN(C3)C1)C2.CC(C)[NH3+].CC[N+](C)(CC)C(C)C
InChIInChI=1S/C12H22N.C10H20N.C9H19N4.C9H19N2.C9H21N2.C9H20N.C8H18NO.C8H20N.C6H16N.C3H9N/c1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-9(2)11-6-3-10(4-7-11)5-8-11;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-9(2)11-6-3-10(4-7-11)5-8-11;1-9(2)11(4)7-5-10(3)6-8-11;1-9(2)10(3)7-5-4-6-8-10;1-8(2)9(3)4-6-10-7-5-9;1-6-9(5,7-2)8(3)4;1-6(2)7(3,4)5;1-3(2)4/h9-12H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8H,6-7H2,1-5H3;6H,1-5H3;3H,4H2,1-2H3/q9*+1;/p+1
InChIKeyZBKJQUCGKBTNEP-UHFFFAOYSA-O
XLogP11.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001409.50
LogP ≤ 511.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium?
The IUPAC name of diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium (CID 162073579) is diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium.
What is the SMILES notation for diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium?
The canonical SMILES for diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium is CC(C)[N+](C)(C)C.CC(C)[N+]1(C)CCCCC1.CC(C)[N+]1(C)CCN(C)CC1.CC(C)[N+]1(C)CCOCC1.CC(C)[N+]12CC3CC(CC(C3)C1)C2.CC(C)[N+]12CCC(CC1)CC2.CC(C)[N+]12CCN(CC1)CC2.CC(C)[N+]12CN3CN(CN(C3)C1)C2.CC(C)[NH3+].CC[N+](C)(CC)C(C)C.
What is the InChIKey of diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium?
The InChIKey is ZBKJQUCGKBTNEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22N.C10H20N.C9H19N4.C9H19N2.C9H21N2.C9H20N.C8H18NO.C8H20N.C6H16N.C3H9N/c1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-9(2)11-6-3-10(4-7-11)5-8-11;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-9(2)11-6-3-10(4-7-11)5-8-11;1-9(2)11(4)7-5-10(3)6-8-11;1-9(2)10(3)7-5-4-6-8-10;1-8(2)9(3)4-6-10-7-5-9;1-6-9(5,7-2)8(3)4;1-6(2)7(3,4)5;1-3(2)4/h9-12H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8H,6-7H2,1-5H3;6H,1-5H3;3H,4H2,1-2H3/q9*+1;/p+1.
What are the key properties of diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium?
diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium has a molecular weight of 1409.50 g/mol, XLogP of 11.04, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-propan-2-ylazanium;1,4-dimethyl-1-propan-2-ylpiperazin-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;1-propan-2-yl-4-aza-1-azoniabicyclo[2.2.2]octane;propan-2-ylazanium;1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;1-propan-2-yl-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;trimethyl(propan-2-yl)azanium is sourced from PubChem (CID 162073579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).