1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium

C81H165N13O5S+10 — CID 159282145

IUPAC1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium
SMILESCC(C)[N+]1(C)CCCCC1.CC(C)[N+]1(C)CCOCC1.CC(C)[N+]1([O-])CCOCC1.CC(C)[NH+]1CCCCC1.CC(C)[NH+]1CCOCC1.CC(C)[n+]1cc[nH]c1.CC(C)[n+]1ccccc1.CC(C)[n+]1ccoc1.CC(C)[n+]1ccsc1.CC(C)n1cc[n+](C)c1.CC[N+](CC)(CC)C(C)C
InChIInChI=1S/C9H20N.C9H22N.C8H18NO.C8H17N.C8H12N.C7H13N2.C7H15NO2.C7H15NO.C6H10N2.C6H10NO.C6H10NS/c1-9(2)10(3)7-5-4-6-8-10;1-6-10(7-2,8-3)9(4)5;1-8(2)9(3)4-6-10-7-5-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-4-8(3)6-9;1-7(2)8(9)3-5-10-6-4-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7-5-8;2*1-6(2)7-3-4-8-5-7/h9H,4-8H2,1-3H3;9H,6-8H2,1-5H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;3-8H,1-2H3;4-7H,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3*3-6H,1-2H3/q3*+1;;2*+1;;;;2*+1/p+3
InChIKeyKZBAZIKWKWJHAX-UHFFFAOYSA-Q
MW1433.36 g/mol
LogP11.78
Rot. Bonds14

About 1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium

1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium (PubChem CID 159282145) has the molecular formula C81H165N13O5S+10 and a molecular weight of 1433.36 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium
PubChem CID159282145
Molecular FormulaC81H165N13O5S+10
Molecular Weight1433.36 g/mol
Exact Mass1432.27
IUPAC Name1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium
SMILESCC(C)[N+]1(C)CCCCC1.CC(C)[N+]1(C)CCOCC1.CC(C)[N+]1([O-])CCOCC1.CC(C)[NH+]1CCCCC1.CC(C)[NH+]1CCOCC1.CC(C)[n+]1cc[nH]c1.CC(C)[n+]1ccccc1.CC(C)[n+]1ccoc1.CC(C)[n+]1ccsc1.CC(C)n1cc[n+](C)c1.CC[N+](CC)(CC)C(C)C
InChIInChI=1S/C9H20N.C9H22N.C8H18NO.C8H17N.C8H12N.C7H13N2.C7H15NO2.C7H15NO.C6H10N2.C6H10NO.C6H10NS/c1-9(2)10(3)7-5-4-6-8-10;1-6-10(7-2,8-3)9(4)5;1-8(2)9(3)4-6-10-7-5-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-4-8(3)6-9;1-7(2)8(9)3-5-10-6-4-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7-5-8;2*1-6(2)7-3-4-8-5-7/h9H,4-8H2,1-3H3;9H,6-8H2,1-5H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;3-8H,1-2H3;4-7H,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3*3-6H,1-2H3/q3*+1;;2*+1;;;;2*+1/p+3
InChIKeyKZBAZIKWKWJHAX-UHFFFAOYSA-Q
XLogP11.78
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001433.36
LogP ≤ 511.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium?
The IUPAC name of 1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium (CID 159282145) is 1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium.
What is the SMILES notation for 1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium?
The canonical SMILES for 1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium is CC(C)[N+]1(C)CCCCC1.CC(C)[N+]1(C)CCOCC1.CC(C)[N+]1([O-])CCOCC1.CC(C)[NH+]1CCCCC1.CC(C)[NH+]1CCOCC1.CC(C)[n+]1cc[nH]c1.CC(C)[n+]1ccccc1.CC(C)[n+]1ccoc1.CC(C)[n+]1ccsc1.CC(C)n1cc[n+](C)c1.CC[N+](CC)(CC)C(C)C.
What is the InChIKey of 1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium?
The InChIKey is KZBAZIKWKWJHAX-UHFFFAOYSA-Q. The full InChI is InChI=1S/C9H20N.C9H22N.C8H18NO.C8H17N.C8H12N.C7H13N2.C7H15NO2.C7H15NO.C6H10N2.C6H10NO.C6H10NS/c1-9(2)10(3)7-5-4-6-8-10;1-6-10(7-2,8-3)9(4)5;1-8(2)9(3)4-6-10-7-5-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-4-8(3)6-9;1-7(2)8(9)3-5-10-6-4-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7-5-8;2*1-6(2)7-3-4-8-5-7/h9H,4-8H2,1-3H3;9H,6-8H2,1-5H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;3-8H,1-2H3;4-7H,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3*3-6H,1-2H3/q3*+1;;2*+1;;;;2*+1/p+3.
What are the key properties of 1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium?
1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium has a molecular weight of 1433.36 g/mol, XLogP of 11.78, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium is sourced from PubChem (CID 159282145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).