4-octadecoxycyclohexa-2,4-dien-1-amine

C24H45NO — CID 142260209

IUPAC4-octadecoxycyclohexa-2,4-dien-1-amine
SMILESCCCCCCCCCCCCCCCCCCOC1=CCC(N)C=C1
InChIInChI=1S/C24H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-24-20-18-23(25)19-21-24/h18,20-21,23H,2-17,19,22,25H2,1H3
InChIKeyUWNWXPQMGCCXNJ-UHFFFAOYSA-N
MW363.63 g/mol
LogP7.44
Rot. Bonds18

About 4-octadecoxycyclohexa-2,4-dien-1-amine

4-octadecoxycyclohexa-2,4-dien-1-amine (PubChem CID 142260209) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is 4-octadecoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-octadecoxycyclohexa-2,4-dien-1-amine
PubChem CID142260209
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name4-octadecoxycyclohexa-2,4-dien-1-amine
SMILESCCCCCCCCCCCCCCCCCCOC1=CCC(N)C=C1
InChIInChI=1S/C24H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-24-20-18-23(25)19-21-24/h18,20-21,23H,2-17,19,22,25H2,1H3
InChIKeyUWNWXPQMGCCXNJ-UHFFFAOYSA-N
XLogP7.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 57.44
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 4-octadecoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-octadecoxycyclohexa-2,4-dien-1-amine (CID 142260209) is 4-octadecoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-octadecoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-octadecoxycyclohexa-2,4-dien-1-amine is CCCCCCCCCCCCCCCCCCOC1=CCC(N)C=C1.
What is the InChIKey of 4-octadecoxycyclohexa-2,4-dien-1-amine?
The InChIKey is UWNWXPQMGCCXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-24-20-18-23(25)19-21-24/h18,20-21,23H,2-17,19,22,25H2,1H3.
What are the key properties of 4-octadecoxycyclohexa-2,4-dien-1-amine?
4-octadecoxycyclohexa-2,4-dien-1-amine has a molecular weight of 363.63 g/mol, XLogP of 7.44, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octadecoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 142260209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).