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]-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

C58H126N7O13+3 — CID 162226066

IUPACcarbanide;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]-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
SMILESC.C.C.CC(C)NCC[N+]1(C)CCOC(=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-]
InChIInChI=1S/C12H25N2O2.C12H24NO3.C10H21N2O2.C10H20NO3.C9H17NO3.3CH4.2CH3/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)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;8H,3-7H2,1-2H3;3*1H4;2*1H3/q4*+1;;;;;2*-1/p+1
InChIKeyZUTXXZNRVJZTLS-UHFFFAOYSA-O
MW1129.68 g/mol
LogP4.03
Rot. Bonds24

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]-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]-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 162226066) has the molecular formula C58H126N7O13+3 and a molecular weight of 1129.68 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]-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;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]-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 CID162226066
Molecular FormulaC58H126N7O13+3
Molecular Weight1129.68 g/mol
Exact Mass1128.94
IUPAC Namecarbanide;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]-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
SMILESC.C.C.CC(C)NCC[N+]1(C)CCOC(=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-]
InChIInChI=1S/C12H25N2O2.C12H24NO3.C10H21N2O2.C10H20NO3.C9H17NO3.3CH4.2CH3/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)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;8H,3-7H2,1-2H3;3*1H4;2*1H3/q4*+1;;;;;2*-1/p+1
InChIKeyZUTXXZNRVJZTLS-UHFFFAOYSA-O
XLogP4.03
TPSA187.69 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001129.68
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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;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]-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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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]-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]-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 162226066) 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]-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]-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]-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)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-].
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]-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 ZUTXXZNRVJZTLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H25N2O2.C12H24NO3.C10H21N2O2.C10H20NO3.C9H17NO3.3CH4.2CH3/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)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;8H,3-7H2,1-2H3;3*1H4;2*1H3/q4*+1;;;;;2*-1/p+1.
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]-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]-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 1129.68 g/mol, XLogP of 4.03, 24 rotatable bonds, 3 hydrogen bond donors, and 15 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]-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 162226066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).