tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine

C89H150FN19O20 — CID 158220671

IUPACtert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)CCO1.CN(C)C(=O)C1CN(C(=O)OC(C)(C)C)CCO1.CN(C)C1(C2CN(C(=O)OC(C)(C)C)CCO2)CC1.CN(C)C1(C2CN(c3ccc(N)nc3)CCO2)CC1.CN(C)C1(C2CN(c3ccc([N+](=O)[O-])nc3)CCO2)CC1.CN(C)C1(C2CNCCO2)CC1.CN(C)C1(C2CNCCO2)CC1.O=[N+]([O-])c1ccc(F)cn1
InChIInChI=1S/C14H20N4O3.C14H22N4O.C14H26N2O3.C12H22N2O4.C12H21NO5.2C9H18N2O.C5H3FN2O2/c1-16(2)14(5-6-14)12-10-17(7-8-21-12)11-3-4-13(15-9-11)18(19)20;1-17(2)14(5-6-14)12-10-18(7-8-19-12)11-3-4-13(15)16-9-11;1-13(2,3)19-12(17)16-8-9-18-11(10-16)14(6-7-14)15(4)5;1-12(2,3)18-11(16)14-6-7-17-9(8-14)10(15)13(4)5;1-5-16-10(14)9-8-13(6-7-17-9)11(15)18-12(2,3)4;2*1-11(2)9(3-4-9)8-7-10-5-6-12-8;6-4-1-2-5(7-3-4)8(9)10/h3-4,9,12H,5-8,10H2,1-2H3;3-4,9,12H,5-8,10H2,1-2H3,(H2,15,16);11H,6-10H2,1-5H3;9H,6-8H2,1-5H3;9H,5-8H2,1-4H3;2*8,10H,3-7H2,1-2H3;1-3H
InChIKeyGDEYFLUFAGRJGC-UHFFFAOYSA-N
MW1825.29 g/mol
LogP7.13
Rot. Bonds17

About tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine

tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine (PubChem CID 158220671) has the molecular formula C89H150FN19O20 and a molecular weight of 1825.29 g/mol. Its IUPAC name is tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine.

Molecular Properties

Compound Nametert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine
PubChem CID158220671
Molecular FormulaC89H150FN19O20
Molecular Weight1825.29 g/mol
Exact Mass1824.13
IUPAC Nametert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)CCO1.CN(C)C(=O)C1CN(C(=O)OC(C)(C)C)CCO1.CN(C)C1(C2CN(C(=O)OC(C)(C)C)CCO2)CC1.CN(C)C1(C2CN(c3ccc(N)nc3)CCO2)CC1.CN(C)C1(C2CN(c3ccc([N+](=O)[O-])nc3)CCO2)CC1.CN(C)C1(C2CNCCO2)CC1.CN(C)C1(C2CNCCO2)CC1.O=[N+]([O-])c1ccc(F)cn1
InChIInChI=1S/C14H20N4O3.C14H22N4O.C14H26N2O3.C12H22N2O4.C12H21NO5.2C9H18N2O.C5H3FN2O2/c1-16(2)14(5-6-14)12-10-17(7-8-21-12)11-3-4-13(15-9-11)18(19)20;1-17(2)14(5-6-14)12-10-18(7-8-19-12)11-3-4-13(15)16-9-11;1-13(2,3)19-12(17)16-8-9-18-11(10-16)14(6-7-14)15(4)5;1-12(2,3)18-11(16)14-6-7-17-9(8-14)10(15)13(4)5;1-5-16-10(14)9-8-13(6-7-17-9)11(15)18-12(2,3)4;2*1-11(2)9(3-4-9)8-7-10-5-6-12-8;6-4-1-2-5(7-3-4)8(9)10/h3-4,9,12H,5-8,10H2,1-2H3;3-4,9,12H,5-8,10H2,1-2H3,(H2,15,16);11H,6-10H2,1-5H3;9H,6-8H2,1-5H3;9H,5-8H2,1-4H3;2*8,10H,3-7H2,1-2H3;1-3H
InChIKeyGDEYFLUFAGRJGC-UHFFFAOYSA-N
XLogP7.13
TPSA397.55 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001825.29
LogP ≤ 57.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine?
The IUPAC name of tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine (CID 158220671) is tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine.
What is the SMILES notation for tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine?
The canonical SMILES for tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine is CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCO1.CN(C)C(=O)C1CN(C(=O)OC(C)(C)C)CCO1.CN(C)C1(C2CN(C(=O)OC(C)(C)C)CCO2)CC1.CN(C)C1(C2CN(c3ccc(N)nc3)CCO2)CC1.CN(C)C1(C2CN(c3ccc([N+](=O)[O-])nc3)CCO2)CC1.CN(C)C1(C2CNCCO2)CC1.CN(C)C1(C2CNCCO2)CC1.O=[N+]([O-])c1ccc(F)cn1.
What is the InChIKey of tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine?
The InChIKey is GDEYFLUFAGRJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3.C14H22N4O.C14H26N2O3.C12H22N2O4.C12H21NO5.2C9H18N2O.C5H3FN2O2/c1-16(2)14(5-6-14)12-10-17(7-8-21-12)11-3-4-13(15-9-11)18(19)20;1-17(2)14(5-6-14)12-10-18(7-8-19-12)11-3-4-13(15)16-9-11;1-13(2,3)19-12(17)16-8-9-18-11(10-16)14(6-7-14)15(4)5;1-12(2,3)18-11(16)14-6-7-17-9(8-14)10(15)13(4)5;1-5-16-10(14)9-8-13(6-7-17-9)11(15)18-12(2,3)4;2*1-11(2)9(3-4-9)8-7-10-5-6-12-8;6-4-1-2-5(7-3-4)8(9)10/h3-4,9,12H,5-8,10H2,1-2H3;3-4,9,12H,5-8,10H2,1-2H3,(H2,15,16);11H,6-10H2,1-5H3;9H,6-8H2,1-5H3;9H,5-8H2,1-4H3;2*8,10H,3-7H2,1-2H3;1-3H.
What are the key properties of tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine?
tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine has a molecular weight of 1825.29 g/mol, XLogP of 7.13, 17 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(dimethylamino)cyclopropyl]morpholine-4-carboxylate;tert-butyl 2-(dimethylcarbamoyl)morpholine-4-carboxylate;4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate;5-[2-[1-(dimethylamino)cyclopropyl]morpholin-4-yl]pyridin-2-amine;bis(N,N-dimethyl-1-morpholin-2-ylcyclopropan-1-amine);N,N-dimethyl-1-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;5-fluoro-2-nitropyridine is sourced from PubChem (CID 158220671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).