6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid

C20H25N3O2Si — CID 174030336

IUPAC6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid
SMILESC[Si]1(C)C2=C/C(=N/CCCCCC(=O)O)C=CC2=Nc2ccc(N)cc21
InChIInChI=1S/C20H25N3O2Si/c1-26(2)18-12-14(21)7-9-16(18)23-17-10-8-15(13-19(17)26)22-11-5-3-4-6-20(24)25/h7-10,12-13H,3-6,11,21H2,1-2H3,(H,24,25)/b22-15+
InChIKeyWEVMPRQWTBMXKK-PXLXIMEGSA-N
MW367.53 g/mol
LogP3.39
Rot. Bonds6

About 6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid

6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid (PubChem CID 174030336) has the molecular formula C20H25N3O2Si and a molecular weight of 367.53 g/mol. Its IUPAC name is 6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid
PubChem CID174030336
Molecular FormulaC20H25N3O2Si
Molecular Weight367.53 g/mol
Exact Mass367.17
IUPAC Name6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid
SMILESC[Si]1(C)C2=C/C(=N/CCCCCC(=O)O)C=CC2=Nc2ccc(N)cc21
InChIInChI=1S/C20H25N3O2Si/c1-26(2)18-12-14(21)7-9-16(18)23-17-10-8-15(13-19(17)26)22-11-5-3-4-6-20(24)25/h7-10,12-13H,3-6,11,21H2,1-2H3,(H,24,25)/b22-15+
InChIKeyWEVMPRQWTBMXKK-PXLXIMEGSA-N
XLogP3.39
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(2,3-dihydroxypropyl)benzoic acid;tridecanedioic acid
CID 174562395
4-aminophenol;dodecanoic acid
CID 157063847
5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid
CID 154090654
5-[(5-amino-2-fluorophenyl)methyl-propan-2-ylamino]pentanoic acid
CID 59419163
6-(4-aminophenoxy)hexanoic acid
CID 3028577
dodecanedioic acid;1,4-xylene
CID 66586315
6-[3-(3-aminophenyl)propanoylamino]hexanoic acid
CID 115341245
4-aminobenzoic acid;octadecanoic acid;titanium;dihydrate
CID 88657157
4-(3-aminophenyl)butanoic acid;hydrochloride
CID 11715486
ethanamine;hexanedioic acid
CID 173189130
methanol;tridecanedioic acid
CID 175511493
2,2-dibenzylnonanedioic acid
CID 54417441

Frequently Asked Questions

What is the IUPAC name of 6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid?
The IUPAC name of 6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid (CID 174030336) is 6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid.
What is the SMILES notation for 6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid?
The canonical SMILES for 6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid is C[Si]1(C)C2=C/C(=N/CCCCCC(=O)O)C=CC2=Nc2ccc(N)cc21.
What is the InChIKey of 6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid?
The InChIKey is WEVMPRQWTBMXKK-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H25N3O2Si/c1-26(2)18-12-14(21)7-9-16(18)23-17-10-8-15(13-19(17)26)22-11-5-3-4-6-20(24)25/h7-10,12-13H,3-6,11,21H2,1-2H3,(H,24,25)/b22-15+.
What are the key properties of 6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid?
6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid has a molecular weight of 367.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8-amino-10,10-dimethylbenzo[b][1,4]benzazasilin-2-ylidene)amino]hexanoic acid is sourced from PubChem (CID 174030336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).