8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene

C28H37N5O — CID 136649512

IUPAC8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene
SMILESC/N=N/c1c(C)cc2cc(C)c(/N=N/C)c(O)c2c1N.CC.CC.c1ccc2ccccc2c1
InChIInChI=1S/C14H17N5O.C10H8.2C2H6/c1-7-5-9-6-8(2)13(19-17-4)14(20)10(9)11(15)12(7)18-16-3;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2/h5-6,20H,15H2,1-4H3;1-8H;2*1-2H3/b18-16+,19-17+;;;
InChIKeyBDGMEWIIOVASLW-ACCFFOGNSA-N
MW459.64 g/mol
LogP9.06
Rot. Bonds2

About 8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene

8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene (PubChem CID 136649512) has the molecular formula C28H37N5O and a molecular weight of 459.64 g/mol. Its IUPAC name is 8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene.

Molecular Properties

Compound Name8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene
PubChem CID136649512
Molecular FormulaC28H37N5O
Molecular Weight459.64 g/mol
Exact Mass459.30
IUPAC Name8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene
SMILESC/N=N/c1c(C)cc2cc(C)c(/N=N/C)c(O)c2c1N.CC.CC.c1ccc2ccccc2c1
InChIInChI=1S/C14H17N5O.C10H8.2C2H6/c1-7-5-9-6-8(2)13(19-17-4)14(20)10(9)11(15)12(7)18-16-3;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2/h5-6,20H,15H2,1-4H3;1-8H;2*1-2H3/b18-16+,19-17+;;;
InChIKeyBDGMEWIIOVASLW-ACCFFOGNSA-N
XLogP9.06
TPSA95.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.64
LogP ≤ 59.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol
CID 135733615
ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;naphthalene;propane
CID 136648699
5-amino-3-diazenyl-4-hydroxy-7-methyl-6-(methyldiazenyl)naphthalene-2-sulfonic acid
CID 135987201
ethane;3-methyl-2-[[4-(methyldiazenyl)phenyl]diazenyl]naphthalen-1-ol;naphthalene;propane
CID 136648288
butane;ethane;3-methyl-2-(methyldiazenyl)naphthalen-1-ol;methyl-(4-methylphenyl)diazene;naphthalene;propane
CID 158181040
4-amino-5-hydroxy-3-(methyldiazenyl)-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135854949
8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol
CID 135714413
3,6,7-trimethyl-2-(methyldiazenyl)naphthalen-1-ol
CID 135597296
4-[[1-amino-7-[[4-(2,2-dimethoxy-2-phenylacetyl)phenyl]diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-2-yl]diazenyl]benzonitrile
CID 136613538
5-amino-4-hydroxy-3-methyl-6-(methyldiazenyl)naphthalene-2,7-disulfonic acid
CID 135985597
4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135723137
[5-amino-4-hydroxy-3-(methyldiazenyl)naphthalen-2-yl]methanesulfonic acid
CID 159334500

Frequently Asked Questions

What is the IUPAC name of 8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene?
The IUPAC name of 8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene (CID 136649512) is 8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene.
What is the SMILES notation for 8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene?
The canonical SMILES for 8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene is C/N=N/c1c(C)cc2cc(C)c(/N=N/C)c(O)c2c1N.CC.CC.c1ccc2ccccc2c1.
What is the InChIKey of 8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene?
The InChIKey is BDGMEWIIOVASLW-ACCFFOGNSA-N. The full InChI is InChI=1S/C14H17N5O.C10H8.2C2H6/c1-7-5-9-6-8(2)13(19-17-4)14(20)10(9)11(15)12(7)18-16-3;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2/h5-6,20H,15H2,1-4H3;1-8H;2*1-2H3/b18-16+,19-17+;;;.
What are the key properties of 8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene?
8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene has a molecular weight of 459.64 g/mol, XLogP of 9.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3,6-dimethyl-2,7-bis(methyldiazenyl)naphthalen-1-ol;ethane;naphthalene is sourced from PubChem (CID 136649512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).