[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium

C13H18N5O+ — CID 135754966

IUPAC[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium
SMILESCCCCn1c(O)c(/N=N/C(N)=[NH2+])c2ccccc21
InChIInChI=1S/C13H17N5O/c1-2-3-8-18-10-7-5-4-6-9(10)11(12(18)19)16-17-13(14)15/h4-7,19H,2-3,8H2,1H3,(H3,14,15)/p+1/b17-16+
InChIKeyWEQCPEIPERSHKW-WUKNDPDISA-O
MW260.32 g/mol
LogP1.30
Rot. Bonds4

About [amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium

[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium (PubChem CID 135754966) has the molecular formula C13H18N5O+ and a molecular weight of 260.32 g/mol. Its IUPAC name is [amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium
PubChem CID135754966
Molecular FormulaC13H18N5O+
Molecular Weight260.32 g/mol
Exact Mass260.15
IUPAC Name[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium
SMILESCCCCn1c(O)c(/N=N/C(N)=[NH2+])c2ccccc21
InChIInChI=1S/C13H17N5O/c1-2-3-8-18-10-7-5-4-6-9(10)11(12(18)19)16-17-13(14)15/h4-7,19H,2-3,8H2,1H3,(H3,14,15)/p+1/b17-16+
InChIKeyWEQCPEIPERSHKW-WUKNDPDISA-O
XLogP1.30
TPSA101.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
CID 135687000
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
CID 2696561
tert-butyl N-(1-hexyl-2-hydroxyindol-3-yl)iminocarbamate
CID 135881483
(2-butyl-1-hydroxy-3-oxoisoquinolin-4-yl)iminothiourea
CID 135692456
4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide
CID 135846592
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 135824408
N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide
CID 135574739
[2-hydroxy-1-(3-phenoxypropyl)indol-3-yl]iminothiourea
CID 135629735
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726406
N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide
CID 135810850

Frequently Asked Questions

What is the IUPAC name of [amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium?
The IUPAC name of [amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium (CID 135754966) is [amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium.
What is the SMILES notation for [amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium?
The canonical SMILES for [amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium is CCCCn1c(O)c(/N=N/C(N)=[NH2+])c2ccccc21.
What is the InChIKey of [amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium?
The InChIKey is WEQCPEIPERSHKW-WUKNDPDISA-O. The full InChI is InChI=1S/C13H17N5O/c1-2-3-8-18-10-7-5-4-6-9(10)11(12(18)19)16-17-13(14)15/h4-7,19H,2-3,8H2,1H3,(H3,14,15)/p+1/b17-16+.
What are the key properties of [amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium?
[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium has a molecular weight of 260.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium is sourced from PubChem (CID 135754966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).