N-(12-dodecoxydodecyl)aniline

C30H55NO — CID 54486065

IUPACN-(12-dodecoxydodecyl)aniline
SMILESCCCCCCCCCCCCOCCCCCCCCCCCCNc1ccccc1
InChIInChI=1S/C30H55NO/c1-2-3-4-5-6-7-11-14-17-23-28-32-29-24-18-15-12-9-8-10-13-16-22-27-31-30-25-20-19-21-26-30/h19-21,25-26,31H,2-18,22-24,27-29H2,1H3
InChIKeyXSJSRSUZLDTAHF-UHFFFAOYSA-N
MW445.78 g/mol
LogP9.94
Rot. Bonds25

About N-(12-dodecoxydodecyl)aniline

N-(12-dodecoxydodecyl)aniline (PubChem CID 54486065) has the molecular formula C30H55NO and a molecular weight of 445.78 g/mol. Its IUPAC name is N-(12-dodecoxydodecyl)aniline.

Molecular Properties

Compound NameN-(12-dodecoxydodecyl)aniline
PubChem CID54486065
Molecular FormulaC30H55NO
Molecular Weight445.78 g/mol
Exact Mass445.43
IUPAC NameN-(12-dodecoxydodecyl)aniline
SMILESCCCCCCCCCCCCOCCCCCCCCCCCCNc1ccccc1
InChIInChI=1S/C30H55NO/c1-2-3-4-5-6-7-11-14-17-23-28-32-29-24-18-15-12-9-8-10-13-16-22-27-31-30-25-20-19-21-26-30/h19-21,25-26,31H,2-18,22-24,27-29H2,1H3
InChIKeyXSJSRSUZLDTAHF-UHFFFAOYSA-N
XLogP9.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.78
LogP ≤ 59.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(12-dodecoxydodecyl)aniline?
The IUPAC name of N-(12-dodecoxydodecyl)aniline (CID 54486065) is N-(12-dodecoxydodecyl)aniline.
What is the SMILES notation for N-(12-dodecoxydodecyl)aniline?
The canonical SMILES for N-(12-dodecoxydodecyl)aniline is CCCCCCCCCCCCOCCCCCCCCCCCCNc1ccccc1.
What is the InChIKey of N-(12-dodecoxydodecyl)aniline?
The InChIKey is XSJSRSUZLDTAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55NO/c1-2-3-4-5-6-7-11-14-17-23-28-32-29-24-18-15-12-9-8-10-13-16-22-27-31-30-25-20-19-21-26-30/h19-21,25-26,31H,2-18,22-24,27-29H2,1H3.
What are the key properties of N-(12-dodecoxydodecyl)aniline?
N-(12-dodecoxydodecyl)aniline has a molecular weight of 445.78 g/mol, XLogP of 9.94, 25 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-dodecoxydodecyl)aniline is sourced from PubChem (CID 54486065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).