N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline

C18H17N3 — CID 11832

IUPACN,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline
SMILESCN(C)c1ccc(/N=N/c2cccc3ccccc23)cc1
InChIInChI=1S/C18H17N3/c1-21(2)16-12-10-15(11-13-16)19-20-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3/b20-19+
InChIKeyRKGIHRYVFSZPKN-FMQUCBEESA-N
MW275.36 g/mol
LogP5.32
Rot. Bonds3

About N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline

N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline (PubChem CID 11832) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline
PubChem CID11832
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline
SMILESCN(C)c1ccc(/N=N/c2cccc3ccccc23)cc1
InChIInChI=1S/C18H17N3/c1-21(2)16-12-10-15(11-13-16)19-20-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3/b20-19+
InChIKeyRKGIHRYVFSZPKN-FMQUCBEESA-N
XLogP5.32
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.36
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline?
The IUPAC name of N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline (CID 11832) is N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline is CN(C)c1ccc(/N=N/c2cccc3ccccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline?
The InChIKey is RKGIHRYVFSZPKN-FMQUCBEESA-N. The full InChI is InChI=1S/C18H17N3/c1-21(2)16-12-10-15(11-13-16)19-20-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3/b20-19+.
What are the key properties of N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline?
N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline has a molecular weight of 275.36 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(naphthalen-1-yldiazenyl)aniline is sourced from PubChem (CID 11832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).