azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride

C193H324B4ClN29O25S — CID 159566680

About azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride

azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride (PubChem CID 159566680) has the molecular formula C193H324B4ClN29O25S and a molecular weight of 3561.66 g/mol. Its IUPAC name is azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride.

Molecular Properties

• Compound Name: azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride
• PubChem CID: 159566680
• Molecular Formula: C193H324B4ClN29O25S
• Molecular Weight: 3561.66 g/mol
• Exact Mass: 3559.48
• IUPAC Name: azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride
• SMILES: C1CCNC1.C1CCNCC1.C1COCCN1.CC(C)(C)CN.CC(C)CN.CC(C)N.CC(C)NC(C)C.CCC.CCCCCN.CCCN.CCN.CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(C)cc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(C(=O)O)cc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(C(=O)O)cc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(C)cc32)cc1.CCNCC.CN.C[C@@H]1CC[C@@H](C)N1.Cl.N.NCC1CC1.OB(O)c1cccs1.OB(O)c1ccncc1.OB(O)c1cncnc1.O[C@@H]1CCNC1.O[C@H]1CCNC1.c1cncc(B2OCCCO2)c1
• InChI: InChI=1S/C30H38N2O4.2C25H28N2O4.C25H30N2O2.C8H10BNO2.C6H13N.C6H15N.C5H6BNO2.C5H11N.2C5H13N.C4H5BN2O2.C4H5BO2S.3C4H9NO.2C4H9N.2C4H11N.2C3H9N.C3H8.C2H7N.CH5N.ClH.H3N/c1-7-31(8-2)27(33)23-12-10-22(11-13-23)25-20-30(35-26-14-9-21(3)19-24(25)26)15-17-32(18-16-30)28(34)36-29(4,5)6;2*1-3-27(4-2)23(28)18-7-5-17(6-8-18)21-16-25(11-13-26-14-12-25)31-22-10-9-19(24(29)30)15-20(21)22;1-4-27(5-2)24(28)20-9-7-19(8-10-20)22-17-25(12-14-26-15-13-25)29-23-11-6-18(3)16-21(22)23;1-3-8(7-10-4-1)9-11-5-2-6-12-9;1-5-3-4-6(2)7-5;1-5(2)7-6(3)4;8-6(9)5-1-3-7-4-2-5;1-2-4-6-5-3-1;1-5(2,3)4-6;1-2-3-4-5-6;8-5(9)4-1-6-3-7-2-4;6-5(7)4-2-1-3-8-4;1-3-6-4-2-5-1;2*6-4-1-2-5-3-4;5-3-4-1-2-4;1-2-4-5-3-1;1-4(2)3-5;1-3-5-4-2;1-3(2)4;1-2-3-4;1-3-2;1-2-3;1-2;;/h9-14,19-20H,7-8,15-18H2,1-6H3;2*5-10,15-16,26H,3-4,11-14H2,1-2H3,(H,29,30);6-11,16-17,26H,4-5,12-15H2,1-3H3;1,3-4,7H,2,5-6H2;5-7H,3-4H2,1-2H3;5-7H,1-4H3;1-4,8-9H;6H,1-5H2;4,6H2,1-3H3;2-6H2,1H3;1-3,8-9H;1-3,6-7H;5H,1-4H2;2*4-6H,1-3H2;4H,1-3,5H2;5H,1-4H2;4H,3,5H2,1-2H3;5H,3-4H2,1-2H3;3H,4H2,1-2H3;2-4H2,1H3;3H2,1-2H3;2-3H2,1H3;2H2,1H3;1H;1H3/t;;;;;5-,6-;;;;;;;;;2*4-;;;;;;;;;;;/m.....1........10.........../s1
• InChIKey: YVYOBRNMMSXSSL-YKODEOAWSA-N
• XLogP: 22.58
• TPSA: 838.88 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 48
• Rotatable Bonds: 32
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3561.66
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride?

The IUPAC name of azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride (CID 159566680) is azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride.

What is the SMILES notation for azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride?

The canonical SMILES for azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride is C1CCNC1.C1CCNCC1.C1COCCN1.CC(C)(C)CN.CC(C)CN.CC(C)N.CC(C)NC(C)C.CCC.CCCCCN.CCCN.CCN.CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(C)cc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(C(=O)O)cc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(C(=O)O)cc32)cc1.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(C)cc32)cc1.CCNCC.CN.C[C@@H]1CC[C@@H](C)N1.Cl.N.NCC1CC1.OB(O)c1cccs1.OB(O)c1ccncc1.OB(O)c1cncnc1.O[C@@H]1CCNC1.O[C@H]1CCNC1.c1cncc(B2OCCCO2)c1.

What is the InChIKey of azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride?

The InChIKey is YVYOBRNMMSXSSL-YKODEOAWSA-N. The full InChI is InChI=1S/C30H38N2O4.2C25H28N2O4.C25H30N2O2.C8H10BNO2.C6H13N.C6H15N.C5H6BNO2.C5H11N.2C5H13N.C4H5BN2O2.C4H5BO2S.3C4H9NO.2C4H9N.2C4H11N.2C3H9N.C3H8.C2H7N.CH5N.ClH.H3N/c1-7-31(8-2)27(33)23-12-10-22(11-13-23)25-20-30(35-26-14-9-21(3)19-24(25)26)15-17-32(18-16-30)28(34)36-29(4,5)6;2*1-3-27(4-2)23(28)18-7-5-17(6-8-18)21-16-25(11-13-26-14-12-25)31-22-10-9-19(24(29)30)15-20(21)22;1-4-27(5-2)24(28)20-9-7-19(8-10-20)22-17-25(12-14-26-15-13-25)29-23-11-6-18(3)16-21(22)23;1-3-8(7-10-4-1)9-11-5-2-6-12-9;1-5-3-4-6(2)7-5;1-5(2)7-6(3)4;8-6(9)5-1-3-7-4-2-5;1-2-4-6-5-3-1;1-5(2,3)4-6;1-2-3-4-5-6;8-5(9)4-1-6-3-7-2-4;6-5(7)4-2-1-3-8-4;1-3-6-4-2-5-1;2*6-4-1-2-5-3-4;5-3-4-1-2-4;1-2-4-5-3-1;1-4(2)3-5;1-3-5-4-2;1-3(2)4;1-2-3-4;1-3-2;1-2-3;1-2;;/h9-14,19-20H,7-8,15-18H2,1-6H3;2*5-10,15-16,26H,3-4,11-14H2,1-2H3,(H,29,30);6-11,16-17,26H,4-5,12-15H2,1-3H3;1,3-4,7H,2,5-6H2;5-7H,3-4H2,1-2H3;5-7H,1-4H3;1-4,8-9H;6H,1-5H2;4,6H2,1-3H3;2-6H2,1H3;1-3,8-9H;1-3,6-7H;5H,1-4H2;2*4-6H,1-3H2;4H,1-3,5H2;5H,1-4H2;4H,3,5H2,1-2H3;5H,3-4H2,1-2H3;3H,4H2,1-2H3;2-4H2,1H3;3H2,1-2H3;2-3H2,1H3;2H2,1H3;1H;1H3/t;;;;;5-,6-;;;;;;;;;2*4-;;;;;;;;;;;/m.....1........10.........../s1.

What are the key properties of azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride?

azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride has a molecular weight of 3561.66 g/mol, XLogP of 22.58, 32 rotatable bonds, 30 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for azane;tert-butyl 4-[4-(diethylcarbamoyl)phenyl]-6-methylspiro[chromene-2,4'-piperidine]-1'-carboxylate;cyclopropylmethanamine;bis(4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxylic acid);N,N-diethyl-4-(6-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide;2,2-dimethylpropan-1-amine;(2R,5R)-2,5-dimethylpyrrolidine;3-(1,3,2-dioxaborinan-2-yl)pyridine;ethanamine;N-ethylethanamine;methanamine;2-methylpropan-1-amine;morpholine;pentan-1-amine;piperidine;propan-1-amine;propan-2-amine;propane;N-propan-2-ylpropan-2-amine;pyridin-4-ylboronic acid;pyrimidin-5-ylboronic acid;pyrrolidine;(3S)-pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;thiophen-2-ylboronic acid;hydrochloride is sourced from PubChem (CID 159566680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).