2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol

C118H211N17O29 — CID 160818803

About 2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol

2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol (PubChem CID 160818803) has the molecular formula C118H211N17O29 and a molecular weight of 2332.08 g/mol. Its IUPAC name is 2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol.

Molecular Properties

• Compound Name: 2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol
• PubChem CID: 160818803
• Molecular Formula: C118H211N17O29
• Molecular Weight: 2332.08 g/mol
• Exact Mass: 2330.56
• IUPAC Name: 2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol
• SMILES: CC(C)(N)CO.CC(C)NCC(O)c1ccc(O)c(O)c1.CC(N)C(O)c1ccc(O)c(O)c1.CCC(N)CO.CN(C)CCOCCO.CNCC(O)c1ccc(O)c(O)c1.CNCC(O)c1ccc(O)c(OC)c1.NC1c2ccccc2CC1O.NCCCCCO.NCCCCO.NCCc1cc(O)c(O)cc1O.OC1(c2ccccc2)CCNCC1.OC1CCN(Cc2ccccc2)C1.OC1CCNC1.OCC(O)CN1CCCC1.OCCNCCNCCO
• InChI: InChI=1S/C11H17NO3.2C11H15NO.C10H15NO3.2C9H13NO3.C9H11NO.C8H11NO3.C7H15NO2.C6H16N2O2.C6H15NO2.C5H13NO.C4H9NO.3C4H11NO/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;13-11(6-8-12-9-7-11)10-4-2-1-3-5-10;13-11-6-7-12(9-11)8-10-4-2-1-3-5-10;1-11-6-9(13)7-3-4-8(12)10(5-7)14-2;1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-5(10)9(13)6-2-3-7(11)8(12)4-6;10-9-7-4-2-1-3-6(7)5-8(9)11;9-2-1-5-3-7(11)8(12)4-6(5)10;9-6-7(10)5-8-3-1-2-4-8;9-5-3-7-1-2-8-4-6-10;1-7(2)3-5-9-6-4-8;6-4-2-1-3-5-7;6-4-1-2-5-3-4;1-4(2,5)3-6;1-2-4(5)3-6;5-3-1-2-4-6/h3-5,7,11-15H,6H2,1-2H3;1-5,12-13H,6-9H2;1-5,11,13H,6-9H2;3-5,9,11-13H,6H2,1-2H3;2-4,9-13H,5H2,1H3;2-5,9,11-13H,10H2,1H3;1-4,8-9,11H,5,10H2;3-4,10-12H,1-2,9H2;7,9-10H,1-6H2;7-10H,1-6H2;8H,3-6H2,1-2H3;7H,1-6H2;4-6H,1-3H2;6H,3,5H2,1-2H3;4,6H,2-3,5H2,1H3;6H,1-5H2
• InChIKey: SFGKIDZLNPSPCP-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 840.74 Ų
• H-Bond Donors: 41
• H-Bond Acceptors: 46
• Rotatable Bonds: 43
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2332.08
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	41
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol?

The IUPAC name of 2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol (CID 160818803) is 2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol.

What is the SMILES notation for 2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol?

The canonical SMILES for 2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol is CC(C)(N)CO.CC(C)NCC(O)c1ccc(O)c(O)c1.CC(N)C(O)c1ccc(O)c(O)c1.CCC(N)CO.CN(C)CCOCCO.CNCC(O)c1ccc(O)c(O)c1.CNCC(O)c1ccc(O)c(OC)c1.NC1c2ccccc2CC1O.NCCCCCO.NCCCCO.NCCc1cc(O)c(O)cc1O.OC1(c2ccccc2)CCNCC1.OC1CCN(Cc2ccccc2)C1.OC1CCNC1.OCC(O)CN1CCCC1.OCCNCCNCCO.

What is the InChIKey of 2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol?

The InChIKey is SFGKIDZLNPSPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3.2C11H15NO.C10H15NO3.2C9H13NO3.C9H11NO.C8H11NO3.C7H15NO2.C6H16N2O2.C6H15NO2.C5H13NO.C4H9NO.3C4H11NO/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;13-11(6-8-12-9-7-11)10-4-2-1-3-5-10;13-11-6-7-12(9-11)8-10-4-2-1-3-5-10;1-11-6-9(13)7-3-4-8(12)10(5-7)14-2;1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-5(10)9(13)6-2-3-7(11)8(12)4-6;10-9-7-4-2-1-3-6(7)5-8(9)11;9-2-1-5-3-7(11)8(12)4-6(5)10;9-6-7(10)5-8-3-1-2-4-8;9-5-3-7-1-2-8-4-6-10;1-7(2)3-5-9-6-4-8;6-4-2-1-3-5-7;6-4-1-2-5-3-4;1-4(2,5)3-6;1-2-4(5)3-6;5-3-1-2-4-6/h3-5,7,11-15H,6H2,1-2H3;1-5,12-13H,6-9H2;1-5,11,13H,6-9H2;3-5,9,11-13H,6H2,1-2H3;2-4,9-13H,5H2,1H3;2-5,9,11-13H,10H2,1H3;1-4,8-9,11H,5,10H2;3-4,10-12H,1-2,9H2;7,9-10H,1-6H2;7-10H,1-6H2;8H,3-6H2,1-2H3;7H,1-6H2;4-6H,1-3H2;6H,3,5H2,1-2H3;4,6H,2-3,5H2,1H3;6H,1-5H2.

What are the key properties of 2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol?

2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol has a molecular weight of 2332.08 g/mol, XLogP of 1.77, 43 rotatable bonds, 41 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminobutan-1-ol;4-aminobutan-1-ol;1-amino-2,3-dihydro-1H-inden-2-ol;5-(2-aminoethyl)benzene-1,2,4-triol;4-(2-amino-1-hydroxypropyl)benzene-1,2-diol;2-amino-2-methylpropan-1-ol;5-aminopentan-1-ol;1-benzylpyrrolidin-3-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;4-phenylpiperidin-4-ol;pyrrolidin-3-ol;3-pyrrolidin-1-ylpropane-1,2-diol is sourced from PubChem (CID 160818803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).