carbanide;methane;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

C68H148N9O15+3 — CID 159976984

About carbanide;methane;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;methane;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 159976984) has the molecular formula C68H148N9O15+3 and a molecular weight of 1331.98 g/mol. Its IUPAC name is carbanide;methane;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 Name: carbanide;methane;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: 159976984
• Molecular Formula: C68H148N9O15+3
• Molecular Weight: 1331.98 g/mol
• Exact Mass: 1331.11
• IUPAC Name: carbanide;methane;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
• SMILES: C.C.C.CC(C)NCC[N+]1(C)CCOC(=O)C1.CC(C)NCC[NH+]1CCOC(=O)C1.CC(C)OCC[N+]1(C)CCOC(=O)C1.CC(C)OCC[NH+]1CCOC(=O)C1.CCC[N+]1(CCNC(C)C)CCOC(=O)C1.CCC[N+]1(CCOC(C)C)CCOC(=O)C1.[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C12H25N2O2.C12H24NO3.C10H21N2O2.C10H20NO3.C9H18N2O2.C9H17NO3.3CH4.3CH3/c1-4-6-14(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)11-4-5-12(3)6-7-14-10(13)8-12;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;;;;;;/h11,13H,4-10H2,1-3H3;11H,4-10H2,1-3H3;9,11H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;3*1H4;3*1H3/q4*+1;;;;;;3*-1/p+2
• InChIKey: OFGZGAWQWYPTHZ-UHFFFAOYSA-P
• XLogP: 2.90
• TPSA: 230.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1331.98
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

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'}

Frequently Asked Questions

What is the IUPAC name of carbanide;methane;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;methane;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 159976984) is carbanide;methane;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;methane;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;methane;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 C.C.C.CC(C)NCC[N+]1(C)CCOC(=O)C1.CC(C)NCC[NH+]1CCOC(=O)C1.CC(C)OCC[N+]1(C)CCOC(=O)C1.CC(C)OCC[NH+]1CCOC(=O)C1.CCC[N+]1(CCNC(C)C)CCOC(=O)C1.CCC[N+]1(CCOC(C)C)CCOC(=O)C1.[CH3-].[CH3-].[CH3-].

What is the InChIKey of carbanide;methane;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 OFGZGAWQWYPTHZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C12H25N2O2.C12H24NO3.C10H21N2O2.C10H20NO3.C9H18N2O2.C9H17NO3.3CH4.3CH3/c1-4-6-14(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)11-4-5-12(3)6-7-14-10(13)8-12;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;;;;;;/h11,13H,4-10H2,1-3H3;11H,4-10H2,1-3H3;9,11H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8,10H,3-7H2,1-2H3;8H,3-7H2,1-2H3;3*1H4;3*1H3/q4*+1;;;;;;3*-1/p+2.

What are the key properties of carbanide;methane;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;methane;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 1331.98 g/mol, XLogP of 2.90, 28 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;methane;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 159976984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).