N-methylmethanamine;4-phenyldiazenylaniline

C14H18N4 — CID 18792572

IUPACN-methylmethanamine;4-phenyldiazenylaniline
SMILESCNC.Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H11N3.C2H7N/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11;1-3-2/h1-9H,13H2;3H,1-2H3/b15-14+;
InChIKeyZRBFOROHMYZSCN-WPDLWGESSA-N
MW242.33 g/mol
LogP3.52
Rot. Bonds2

About N-methylmethanamine;4-phenyldiazenylaniline

N-methylmethanamine;4-phenyldiazenylaniline (PubChem CID 18792572) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-methylmethanamine;4-phenyldiazenylaniline.

Molecular Properties

Compound NameN-methylmethanamine;4-phenyldiazenylaniline
PubChem CID18792572
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-methylmethanamine;4-phenyldiazenylaniline
SMILESCNC.Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H11N3.C2H7N/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11;1-3-2/h1-9H,13H2;3H,1-2H3/b15-14+;
InChIKeyZRBFOROHMYZSCN-WPDLWGESSA-N
XLogP3.52
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;4-phenyldiazenylaniline?
The IUPAC name of N-methylmethanamine;4-phenyldiazenylaniline (CID 18792572) is N-methylmethanamine;4-phenyldiazenylaniline.
What is the SMILES notation for N-methylmethanamine;4-phenyldiazenylaniline?
The canonical SMILES for N-methylmethanamine;4-phenyldiazenylaniline is CNC.Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-methylmethanamine;4-phenyldiazenylaniline?
The InChIKey is ZRBFOROHMYZSCN-WPDLWGESSA-N. The full InChI is InChI=1S/C12H11N3.C2H7N/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11;1-3-2/h1-9H,13H2;3H,1-2H3/b15-14+;.
What are the key properties of N-methylmethanamine;4-phenyldiazenylaniline?
N-methylmethanamine;4-phenyldiazenylaniline has a molecular weight of 242.33 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;4-phenyldiazenylaniline is sourced from PubChem (CID 18792572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).