6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol

C58H76N6O12S — CID 54178029

IUPAC6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol
SMILESCC(Sc1ccc(O)cc1)=C1c2ccccc2N(C)c2ccccc21.NCCCCCCO.O=C(CCCCCN1C(=O)C=CC1=O)NCCCCCCO.O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C22H19NOS.C16H26N2O4.C14H16N2O6.C6H15NO/c1-15(25-17-13-11-16(24)12-14-17)22-18-7-3-5-9-20(18)23(2)21-10-6-4-8-19(21)22;19-13-7-2-1-5-11-17-14(20)8-4-3-6-12-18-15(21)9-10-16(18)22;17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20;7-5-3-1-2-4-6-8/h3-14,24H,1-2H3;9-10,19H,1-8,11-13H2,(H,17,20);5-6H,1-4,7-9H2;8H,1-7H2
InChIKeyOZUXZIBKXGXJRW-UHFFFAOYSA-N
MW1081.34 g/mol
LogP7.76
Rot. Bonds26

About 6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol

6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol (PubChem CID 54178029) has the molecular formula C58H76N6O12S and a molecular weight of 1081.34 g/mol. Its IUPAC name is 6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol.

Molecular Properties

Compound Name6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol
PubChem CID54178029
Molecular FormulaC58H76N6O12S
Molecular Weight1081.34 g/mol
Exact Mass1080.52
IUPAC Name6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol
SMILESCC(Sc1ccc(O)cc1)=C1c2ccccc2N(C)c2ccccc21.NCCCCCCO.O=C(CCCCCN1C(=O)C=CC1=O)NCCCCCCO.O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C22H19NOS.C16H26N2O4.C14H16N2O6.C6H15NO/c1-15(25-17-13-11-16(24)12-14-17)22-18-7-3-5-9-20(18)23(2)21-10-6-4-8-19(21)22;19-13-7-2-1-5-11-17-14(20)8-4-3-6-12-18-15(21)9-10-16(18)22;17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20;7-5-3-1-2-4-6-8/h3-14,24H,1-2H3;9-10,19H,1-8,11-13H2,(H,17,20);5-6H,1-4,7-9H2;8H,1-7H2
InChIKeyOZUXZIBKXGXJRW-UHFFFAOYSA-N
XLogP7.76
TPSA257.49 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001081.34
LogP ≤ 57.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol with MolForge

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Related Compounds

[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-phenylmethyl] 6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoate
CID 90373545
trisodium;[[4-[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexoxy-oxidophosphoryl]oxyphenyl]sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate
CID 58817170
N-[3-[1-(10-benzylacridin-9-ylidene)ethylsulfanyl]propyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 59215581
(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate
CID 157110629
(2,5-dioxopyrrolidin-1-yl) 5-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]pentanoate
CID 20779685
tert-butyl 2-[4-(4-aminobutyl)-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetate;tert-butyl 6-bromohexanoate;tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetate;2-[4-(carboxymethyl)-7-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7-triazonan-1-yl]acetic acid;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 158578480
6-(9H-acridin-10-yl)-N-(5-aminopentyl)hexanamide
CID 66643410
1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine
CID 160707812
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]-2-oxoethoxy]ethoxy]acetate
CID 59709155
6-aminohexanoic acid;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)hexanoic acid;furan-2,5-dione;1-hydroxypyrrolidine-2,5-dione
CID 165073519
(2,5-dioxopyrrolidin-1-yl) 6-[[4-acetamido-5-(2-hydroxyethylamino)-5-oxopentanoyl]amino]hexanoate
CID 89119031

Frequently Asked Questions

What is the IUPAC name of 6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol?
The IUPAC name of 6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol (CID 54178029) is 6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol.
What is the SMILES notation for 6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol?
The canonical SMILES for 6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol is CC(Sc1ccc(O)cc1)=C1c2ccccc2N(C)c2ccccc21.NCCCCCCO.O=C(CCCCCN1C(=O)C=CC1=O)NCCCCCCO.O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of 6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol?
The InChIKey is OZUXZIBKXGXJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NOS.C16H26N2O4.C14H16N2O6.C6H15NO/c1-15(25-17-13-11-16(24)12-14-17)22-18-7-3-5-9-20(18)23(2)21-10-6-4-8-19(21)22;19-13-7-2-1-5-11-17-14(20)8-4-3-6-12-18-15(21)9-10-16(18)22;17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20;7-5-3-1-2-4-6-8/h3-14,24H,1-2H3;9-10,19H,1-8,11-13H2,(H,17,20);5-6H,1-4,7-9H2;8H,1-7H2.
What are the key properties of 6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol?
6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol has a molecular weight of 1081.34 g/mol, XLogP of 7.76, 26 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol is sourced from PubChem (CID 54178029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).