carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one

C105H222N12O27 — CID 159810754

IUPACcarbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one
SMILESCC(C)NCC[N+]1(C)CCOC(=O)C1.CC(C)NCC[NH+]1CCOC(=O)C1.CC(C)OCC(O)C[N+]1(C)CCOC(=O)C1.CC(C)OCC(O)C[NH+]1CCOC(=O)C1.CC(C)OCC[N+]1(C)CCOC(=O)C1.CC(C)OCC[NH+]1CCOC(=O)C1.CCC[N+]1(CC(O)COC(C)C)CCOC(=O)C1.CCC[N+]1(CCNC(C)C)CCOC(=O)C1.CCC[N+]1(CCOC(C)C)CCOC(=O)C1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C13H26NO4.C12H25N2O2.C12H24NO3.C11H22NO4.C10H21N2O2.C10H19NO4.C10H20NO3.C9H18N2O2.C9H17NO3.9CH3/c1-4-5-14(6-7-17-13(16)9-14)8-12(15)10-18-11(2)3;1-4-6-14(7-5-13-11(2)3)8-9-16-12(15)10-14;1-4-5-13(6-8-15-11(2)3)7-9-16-12(14)10-13;1-9(2)16-8-10(13)6-12(3)4-5-15-11(14)7-12;1-9(2)11-4-5-12(3)6-7-14-10(13)8-12;1-8(2)15-7-9(12)5-11-3-4-14-10(13)6-11;1-9(2)13-6-4-11(3)5-7-14-10(12)8-11;1-8(2)10-3-4-11-5-6-13-9(12)7-11;1-8(2)12-5-3-10-4-6-13-9(11)7-10;;;;;;;;;/h11-12,15H,4-10H2,1-3H3;11,13H,4-10H2,1-3H3;11H,4-10H2,1-3H3;9-10,13H,4-8H2,1-3H3;9,11H,4-8H2,1-3H3;8-9,12H,3-7H2,1-2H3;9H,4-8H2,1-3H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;9*1H3/q5*+1;;+1;;;9*-1/p+3
InChIKeyNKZKIKFZEQFXJF-UHFFFAOYSA-Q
MW2084.99 g/mol
LogP2.24
Rot. Bonds45

About carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one

carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one (PubChem CID 159810754) has the molecular formula C105H222N12O27 and a molecular weight of 2084.99 g/mol. Its IUPAC name is carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one.

Molecular Properties

Compound Namecarbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one
PubChem CID159810754
Molecular FormulaC105H222N12O27
Molecular Weight2084.99 g/mol
Exact Mass2083.64
IUPAC Namecarbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one
SMILESCC(C)NCC[N+]1(C)CCOC(=O)C1.CC(C)NCC[NH+]1CCOC(=O)C1.CC(C)OCC(O)C[N+]1(C)CCOC(=O)C1.CC(C)OCC(O)C[NH+]1CCOC(=O)C1.CC(C)OCC[N+]1(C)CCOC(=O)C1.CC(C)OCC[NH+]1CCOC(=O)C1.CCC[N+]1(CC(O)COC(C)C)CCOC(=O)C1.CCC[N+]1(CCNC(C)C)CCOC(=O)C1.CCC[N+]1(CCOC(C)C)CCOC(=O)C1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C13H26NO4.C12H25N2O2.C12H24NO3.C11H22NO4.C10H21N2O2.C10H19NO4.C10H20NO3.C9H18N2O2.C9H17NO3.9CH3/c1-4-5-14(6-7-17-13(16)9-14)8-12(15)10-18-11(2)3;1-4-6-14(7-5-13-11(2)3)8-9-16-12(15)10-14;1-4-5-13(6-8-15-11(2)3)7-9-16-12(14)10-13;1-9(2)16-8-10(13)6-12(3)4-5-15-11(14)7-12;1-9(2)11-4-5-12(3)6-7-14-10(13)8-12;1-8(2)15-7-9(12)5-11-3-4-14-10(13)6-11;1-9(2)13-6-4-11(3)5-7-14-10(12)8-11;1-8(2)10-3-4-11-5-6-13-9(12)7-11;1-8(2)12-5-3-10-4-6-13-9(11)7-10;;;;;;;;;/h11-12,15H,4-10H2,1-3H3;11,13H,4-10H2,1-3H3;11H,4-10H2,1-3H3;9-10,13H,4-8H2,1-3H3;9,11H,4-8H2,1-3H3;8-9,12H,3-7H2,1-2H3;9H,4-8H2,1-3H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;9*1H3/q5*+1;;+1;;;9*-1/p+3
InChIKeyNKZKIKFZEQFXJF-UHFFFAOYSA-Q
XLogP2.24
TPSA402.18 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds45
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002084.99
LogP ≤ 52.24
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one?
The IUPAC name of carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one (CID 159810754) is carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one.
What is the SMILES notation for carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one?
The canonical SMILES for carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one is CC(C)NCC[N+]1(C)CCOC(=O)C1.CC(C)NCC[NH+]1CCOC(=O)C1.CC(C)OCC(O)C[N+]1(C)CCOC(=O)C1.CC(C)OCC(O)C[NH+]1CCOC(=O)C1.CC(C)OCC[N+]1(C)CCOC(=O)C1.CC(C)OCC[NH+]1CCOC(=O)C1.CCC[N+]1(CC(O)COC(C)C)CCOC(=O)C1.CCC[N+]1(CCNC(C)C)CCOC(=O)C1.CCC[N+]1(CCOC(C)C)CCOC(=O)C1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one?
The InChIKey is NKZKIKFZEQFXJF-UHFFFAOYSA-Q. The full InChI is InChI=1S/C13H26NO4.C12H25N2O2.C12H24NO3.C11H22NO4.C10H21N2O2.C10H19NO4.C10H20NO3.C9H18N2O2.C9H17NO3.9CH3/c1-4-5-14(6-7-17-13(16)9-14)8-12(15)10-18-11(2)3;1-4-6-14(7-5-13-11(2)3)8-9-16-12(15)10-14;1-4-5-13(6-8-15-11(2)3)7-9-16-12(14)10-13;1-9(2)16-8-10(13)6-12(3)4-5-15-11(14)7-12;1-9(2)11-4-5-12(3)6-7-14-10(13)8-12;1-8(2)15-7-9(12)5-11-3-4-14-10(13)6-11;1-9(2)13-6-4-11(3)5-7-14-10(12)8-11;1-8(2)10-3-4-11-5-6-13-9(12)7-11;1-8(2)12-5-3-10-4-6-13-9(11)7-10;;;;;;;;;/h11-12,15H,4-10H2,1-3H3;11,13H,4-10H2,1-3H3;11H,4-10H2,1-3H3;9-10,13H,4-8H2,1-3H3;9,11H,4-8H2,1-3H3;8-9,12H,3-7H2,1-2H3;9H,4-8H2,1-3H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;9*1H3/q5*+1;;+1;;;9*-1/p+3.
What are the key properties of carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one?
carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one has a molecular weight of 2084.99 g/mol, XLogP of 2.24, 45 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylmorpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-4-ium-2-one;4-(2-hydroxy-3-propan-2-yloxypropyl)-4-propylmorpholin-4-ium-2-one;4-methyl-4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-methyl-4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]morpholin-4-ium-2-one;4-[2-(propan-2-ylamino)ethyl]-4-propylmorpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)morpholin-4-ium-2-one;4-(2-propan-2-yloxyethyl)-4-propylmorpholin-4-ium-2-one is sourced from PubChem (CID 159810754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).