C146H357N31O33 — CID 159738270
2-aminobutan-1-ol;2-aminocyclohexan-1-ol;4-aminocyclohexan-1-ol;2-amino-3-cyclohexylpropan-1-ol;(1-aminocyclopentyl)methanol;2-amino-3,3-dimethylbutan-1-ol;2-(2-aminoethylamino)ethanol;2-aminohexan-1-ol;2-amino-2-(hydroxymethyl)propane-1,3-diol;2-amino-3-methylbutan-1-ol;1-(aminomethyl)cyclohexan-1-ol;7-amino-2-methyloctan-2-ol;2-amino-3-methylpentan-1-ol;2-amino-2-methylpropane-1,3-diol;2-aminopentan-1-ol;5-aminopentan-1-ol;2-aminopropane-1,3-diol;1,3-bis(dimethylamino)propan-2-ol;1,3-diaminopropan-2-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(dimethylamino)ethyl-methylamino]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;1-methylpyrrolidin-3-ol;pyrrolidin-3-ol;2-pyrrolidin-1-ylethanol;3-pyrrolidin-1-ylpropane-1,2-diol (PubChem CID 159738270) has the molecular formula C146H357N31O33 and a molecular weight of 3075.65 g/mol. Its IUPAC name is 2-aminobutan-1-ol;2-aminocyclohexan-1-ol;4-aminocyclohexan-1-ol;2-amino-3-cyclohexylpropan-1-ol;(1-aminocyclopentyl)methanol;2-amino-3,3-dimethylbutan-1-ol;2-(2-aminoethylamino)ethanol;2-aminohexan-1-ol;2-amino-2-(hydroxymethyl)propane-1,3-diol;2-amino-3-methylbutan-1-ol;1-(aminomethyl)cyclohexan-1-ol;7-amino-2-methyloctan-2-ol;2-amino-3-methylpentan-1-ol;2-amino-2-methylpropane-1,3-diol;2-aminopentan-1-ol;5-aminopentan-1-ol;2-aminopropane-1,3-diol;1,3-bis(dimethylamino)propan-2-ol;1,3-diaminopropan-2-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(dimethylamino)ethyl-methylamino]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;1-methylpyrrolidin-3-ol;pyrrolidin-3-ol;2-pyrrolidin-1-ylethanol;3-pyrrolidin-1-ylpropane-1,2-diol.
| Compound Name | 2-aminobutan-1-ol;2-aminocyclohexan-1-ol;4-aminocyclohexan-1-ol;2-amino-3-cyclohexylpropan-1-ol;(1-aminocyclopentyl)methanol;2-amino-3,3-dimethylbutan-1-ol;2-(2-aminoethylamino)ethanol;2-aminohexan-1-ol;2-amino-2-(hydroxymethyl)propane-1,3-diol;2-amino-3-methylbutan-1-ol;1-(aminomethyl)cyclohexan-1-ol;7-amino-2-methyloctan-2-ol;2-amino-3-methylpentan-1-ol;2-amino-2-methylpropane-1,3-diol;2-aminopentan-1-ol;5-aminopentan-1-ol;2-aminopropane-1,3-diol;1,3-bis(dimethylamino)propan-2-ol;1,3-diaminopropan-2-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(dimethylamino)ethyl-methylamino]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;1-methylpyrrolidin-3-ol;pyrrolidin-3-ol;2-pyrrolidin-1-ylethanol;3-pyrrolidin-1-ylpropane-1,2-diol |
|---|---|
| PubChem CID | 159738270 |
| Molecular Formula | C146H357N31O33 |
| Molecular Weight | 3075.65 g/mol |
| Exact Mass | 3073.72 |
| IUPAC Name | 2-aminobutan-1-ol;2-aminocyclohexan-1-ol;4-aminocyclohexan-1-ol;2-amino-3-cyclohexylpropan-1-ol;(1-aminocyclopentyl)methanol;2-amino-3,3-dimethylbutan-1-ol;2-(2-aminoethylamino)ethanol;2-aminohexan-1-ol;2-amino-2-(hydroxymethyl)propane-1,3-diol;2-amino-3-methylbutan-1-ol;1-(aminomethyl)cyclohexan-1-ol;7-amino-2-methyloctan-2-ol;2-amino-3-methylpentan-1-ol;2-amino-2-methylpropane-1,3-diol;2-aminopentan-1-ol;5-aminopentan-1-ol;2-aminopropane-1,3-diol;1,3-bis(dimethylamino)propan-2-ol;1,3-diaminopropan-2-ol;2-[2-(dimethylamino)ethoxy]ethanol;2-[2-(dimethylamino)ethyl-methylamino]ethanol;2-[2-(2-hydroxyethylamino)ethylamino]ethanol;1-methylpyrrolidin-3-ol;pyrrolidin-3-ol;2-pyrrolidin-1-ylethanol;3-pyrrolidin-1-ylpropane-1,2-diol |
| SMILES | CC(C)(C)C(N)CO.CC(C)C(N)CO.CC(N)(CO)CO.CC(N)CCCCC(C)(C)O.CCC(C)C(N)CO.CCC(N)CO.CCCC(N)CO.CCCCC(N)CO.CN(C)CC(O)CN(C)C.CN(C)CCN(C)CCO.CN(C)CCOCCO.CN1CCC(O)C1.NC(CO)(CO)CO.NC(CO)CC1CCCCC1.NC(CO)CO.NC1(CO)CCCC1.NC1CCC(O)CC1.NC1CCCCC1O.NCC(O)CN.NCC1(O)CCCCC1.NCCCCCO.NCCNCCO.OC1CCNC1.OCC(O)CN1CCCC1.OCCN1CCCC1.OCCNCCNCCO |
| InChI | InChI=1S/C9H19NO.C9H21NO.2C7H18N2O.C7H15NO2.C7H15NO.C6H16N2O2.C6H15NO2.4C6H13NO.3C6H15NO.C5H11NO.3C5H13NO.C4H12N2O.C4H11NO3.C4H11NO2.C4H9NO.C4H11NO.C3H10N2O.C3H9NO2/c10-9(7-11)6-8-4-2-1-3-5-8;1-8(10)6-4-5-7-9(2,3)11;1-8(2)5-7(10)6-9(3)4;1-8(2)4-5-9(3)6-7-10;9-6-7(10)5-8-3-1-2-4-8;8-6-7(9)4-2-1-3-5-7;9-5-3-7-1-2-8-4-6-10;1-7(2)3-5-9-6-4-8;7-5-1-3-6(8)4-2-5;8-6-5-7-3-1-2-4-7;7-6(5-8)3-1-2-4-6;7-5-3-1-2-4-6(5)8;1-6(2,3)5(7)4-8;1-3-5(2)6(7)4-8;1-2-3-4-6(7)5-8;1-6-3-2-5(7)4-6;1-4(2)5(6)3-7;1-2-3-5(6)4-7;6-4-2-1-3-5-7;5-1-2-6-3-4-7;5-4(1-6,2-7)3-8;1-4(5,2-6)3-7;6-4-1-2-5-3-4;1-2-4(5)3-6;4-1-3(6)2-5;4-3(1-5)2-6/h8-9,11H,1-7,10H2;8,11H,4-7,10H2,1-3H3;7,10H,5-6H2,1-4H3;10H,4-7H2,1-3H3;7,9-10H,1-6H2;9H,1-6,8H2;7-10H,1-6H2;8H,3-6H2,1-2H3;5-6,8H,1-4,7H2;8H,1-6H2;8H,1-5,7H2;5-6,8H,1-4,7H2;5,8H,4,7H2,1-3H3;5-6,8H,3-4,7H2,1-2H3;6,8H,2-5,7H2,1H3;5,7H,2-4H2,1H3;4-5,7H,3,6H2,1-2H3;5,7H,2-4,6H2,1H3;7H,1-6H2;6-7H,1-5H2;6-8H,1-3,5H2;6-7H,2-3,5H2,1H3;4-6H,1-3H2;4,6H,2-3,5H2,1H3;3,6H,1-2,4-5H2;3,5-6H,1-2,4H2 |
| InChIKey | NCCPENPDCZSNNA-UHFFFAOYSA-N |
| XLogP | -7.96 |
| TPSA | 1225.01 Ų |
| H-Bond Donors | 55 |
| H-Bond Acceptors | 64 |
| Rotatable Bonds | 68 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3075.65 |
| LogP ≤ 5 | -7.96 |
| H-Bond Donors ≤ 5 | 55 |
| H-Bond Acceptors ≤ 10 | 64 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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