2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium

C25H36N3O+ — CID 15333537

IUPAC2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium
SMILESCCCCCCOc1cc(N(CCCCCC)c2ccc(C)cc2)ccc1[N+]#N
InChIInChI=1S/C25H36N3O/c1-4-6-8-10-18-28(22-14-12-21(3)13-15-22)23-16-17-24(27-26)25(20-23)29-19-11-9-7-5-2/h12-17,20H,4-11,18-19H2,1-3H3/q+1
InChIKeyHCHIFOWVBHVPMA-UHFFFAOYSA-N
MW394.58 g/mol
LogP8.16
Rot. Bonds13

About 2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium

2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium (PubChem CID 15333537) has the molecular formula C25H36N3O+ and a molecular weight of 394.58 g/mol. Its IUPAC name is 2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium.

Molecular Properties

Compound Name2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium
PubChem CID15333537
Molecular FormulaC25H36N3O+
Molecular Weight394.58 g/mol
Exact Mass394.29
IUPAC Name2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium
SMILESCCCCCCOc1cc(N(CCCCCC)c2ccc(C)cc2)ccc1[N+]#N
InChIInChI=1S/C25H36N3O/c1-4-6-8-10-18-28(22-14-12-21(3)13-15-22)23-16-17-24(27-26)25(20-23)29-19-11-9-7-5-2/h12-17,20H,4-11,18-19H2,1-3H3/q+1
InChIKeyHCHIFOWVBHVPMA-UHFFFAOYSA-N
XLogP8.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.58
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-4-(dibutylamino)benzenediazonium hexafluorophosphate
CID 19760814
N,N-diheptyl-4-methylaniline
CID 20558578
4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine
CID 18942806
ethane;4-methyl-N,N-dipentylaniline
CID 144729542
N-[4-[(E)-2-[2,5-dihexoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 101129124
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
1,4-dimethyl-2-pentoxybenzene
CID 59184214
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
4-methyl-2-tetradecoxyphenol
CID 19014152
4-[2-[4-[2-[4-[2-[4-[2-[4-(dihexylamino)phenyl]ethynyl]phenyl]ethynyl]-2,5-dioctoxyphenyl]ethynyl]phenyl]ethynyl]-N,N-dihexylaniline
CID 87442215
benzene;N-octyl-N-phenylnaphthalen-2-amine
CID 174859594
4-methylaniline;2-tetradecoxyaniline
CID 158200068

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium?
The IUPAC name of 2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium (CID 15333537) is 2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium.
What is the SMILES notation for 2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium?
The canonical SMILES for 2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium is CCCCCCOc1cc(N(CCCCCC)c2ccc(C)cc2)ccc1[N+]#N.
What is the InChIKey of 2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium?
The InChIKey is HCHIFOWVBHVPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N3O/c1-4-6-8-10-18-28(22-14-12-21(3)13-15-22)23-16-17-24(27-26)25(20-23)29-19-11-9-7-5-2/h12-17,20H,4-11,18-19H2,1-3H3/q+1.
What are the key properties of 2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium?
2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium has a molecular weight of 394.58 g/mol, XLogP of 8.16, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-4-(N-hexyl-4-methylanilino)benzenediazonium is sourced from PubChem (CID 15333537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).