N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline

C22H32N4O3 — CID 154679406

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline
SMILESNCCCOCCOCCOCCCNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H32N4O3/c23-12-4-14-27-16-18-29-19-17-28-15-5-13-24-20-8-10-22(11-9-20)26-25-21-6-2-1-3-7-21/h1-3,6-11,24H,4-5,12-19,23H2/b26-25+
InChIKeyJKTLVCYIAVTVMC-OCEACIFDSA-N
MW400.52 g/mol
LogP4.30
Rot. Bonds16

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline (PubChem CID 154679406) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline
PubChem CID154679406
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline
SMILESNCCCOCCOCCOCCCNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H32N4O3/c23-12-4-14-27-16-18-29-19-17-28-15-5-13-24-20-8-10-22(11-9-20)26-25-21-6-2-1-3-7-21/h1-3,6-11,24H,4-5,12-19,23H2/b26-25+
InChIKeyJKTLVCYIAVTVMC-OCEACIFDSA-N
XLogP4.30
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

aniline;3-(2-methoxyethoxy)propan-1-amine;4-N-(3-methoxypropyl)benzene-1,4-diamine
CID 154679408
N-octadecyl-4-phenyldiazenylaniline
CID 15787928
N'-phenylheptane-1,7-diamine
CID 61149618
3-[2-[3-[3-[4-[4-(3-aminopropoxy)benzoyl]anilino]propoxy]propoxy]ethoxy]propylcarbamic acid
CID 90411852
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride
CID 3111898
N-(12-dodecoxydodecyl)aniline
CID 54486065
3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine
CID 15319690
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409298
N'-(4-fluorophenyl)propane-1,3-diamine
CID 28766537

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline (CID 154679406) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline is NCCCOCCOCCOCCCNc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline?
The InChIKey is JKTLVCYIAVTVMC-OCEACIFDSA-N. The full InChI is InChI=1S/C22H32N4O3/c23-12-4-14-27-16-18-29-19-17-28-15-5-13-24-20-8-10-22(11-9-20)26-25-21-6-2-1-3-7-21/h1-3,6-11,24H,4-5,12-19,23H2/b26-25+.
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline has a molecular weight of 400.52 g/mol, XLogP of 4.30, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-phenyldiazenylaniline is sourced from PubChem (CID 154679406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).