4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline

C15H18N4 — CID 122546962

IUPAC4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline
SMILESN/N=N/c1ccc(CCCc2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N4/c16-14-8-4-12(5-9-14)2-1-3-13-6-10-15(11-7-13)18-19-17/h4-11H,1-3,16H2,(H2,17,18)
InChIKeyYVOZJCRQOJNJEU-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.40
Rot. Bonds5

About 4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline

4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline (PubChem CID 122546962) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline.

Molecular Properties

Compound Name4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline
PubChem CID122546962
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline
SMILESN/N=N/c1ccc(CCCc2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N4/c16-14-8-4-12(5-9-14)2-1-3-13-6-10-15(11-7-13)18-19-17/h4-11H,1-3,16H2,(H2,17,18)
InChIKeyYVOZJCRQOJNJEU-UHFFFAOYSA-N
XLogP3.40
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
CID 134597339
4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328
1-(aminodiazenyl)-4-[[4-(aminodiazenyl)phenyl]methyl]benzene
CID 118629334
1-(aminodiazenyl)-4-(iodomethyl)benzene
CID 121353607
4-[[(4-aminophenyl)diazenyl]methyl]aniline
CID 129142079
4-(3-chloropropyl)aniline
CID 11805171
4-[[4-(4-propylphenoxy)phenyl]diazenyl]aniline
CID 129086495
4-[4-[4-(4-aminophenyl)butylsulfonyl]butyl]aniline
CID 70555486
4-[5-(4-aminophenyl)pentyl]aniline;methanesulfonic acid
CID 24833754
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline?
The IUPAC name of 4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline (CID 122546962) is 4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline.
What is the SMILES notation for 4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline?
The canonical SMILES for 4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline is N/N=N/c1ccc(CCCc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline?
The InChIKey is YVOZJCRQOJNJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-14-8-4-12(5-9-14)2-1-3-13-6-10-15(11-7-13)18-19-17/h4-11H,1-3,16H2,(H2,17,18).
What are the key properties of 4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline?
4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline has a molecular weight of 254.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(aminodiazenyl)phenyl]propyl]aniline is sourced from PubChem (CID 122546962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).