8-(1-octyl-4-pyridinylidene)octan-1-amine

C21H38N2 — CID 70480066

IUPAC8-(1-octyl-4-pyridinylidene)octan-1-amine
SMILESCCCCCCCCN1C=CC(=CCCCCCCCN)C=C1
InChIInChI=1S/C21H38N2/c1-2-3-4-5-10-13-18-23-19-15-21(16-20-23)14-11-8-6-7-9-12-17-22/h14-16,19-20H,2-13,17-18,22H2,1H3
InChIKeyCWNSOZOEZDMQRP-UHFFFAOYSA-N
MW318.55 g/mol
LogP5.92
Rot. Bonds14

About 8-(1-octyl-4-pyridinylidene)octan-1-amine

8-(1-octyl-4-pyridinylidene)octan-1-amine (PubChem CID 70480066) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is 8-(1-octyl-4-pyridinylidene)octan-1-amine.

Molecular Properties

Compound Name8-(1-octyl-4-pyridinylidene)octan-1-amine
PubChem CID70480066
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC Name8-(1-octyl-4-pyridinylidene)octan-1-amine
SMILESCCCCCCCCN1C=CC(=CCCCCCCCN)C=C1
InChIInChI=1S/C21H38N2/c1-2-3-4-5-10-13-18-23-19-15-21(16-20-23)14-11-8-6-7-9-12-17-22/h14-16,19-20H,2-13,17-18,22H2,1H3
InChIKeyCWNSOZOEZDMQRP-UHFFFAOYSA-N
XLogP5.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 55.92
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 8-(1-octyl-4-pyridinylidene)octan-1-amine?
The IUPAC name of 8-(1-octyl-4-pyridinylidene)octan-1-amine (CID 70480066) is 8-(1-octyl-4-pyridinylidene)octan-1-amine.
What is the SMILES notation for 8-(1-octyl-4-pyridinylidene)octan-1-amine?
The canonical SMILES for 8-(1-octyl-4-pyridinylidene)octan-1-amine is CCCCCCCCN1C=CC(=CCCCCCCCN)C=C1.
What is the InChIKey of 8-(1-octyl-4-pyridinylidene)octan-1-amine?
The InChIKey is CWNSOZOEZDMQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2/c1-2-3-4-5-10-13-18-23-19-15-21(16-20-23)14-11-8-6-7-9-12-17-22/h14-16,19-20H,2-13,17-18,22H2,1H3.
What are the key properties of 8-(1-octyl-4-pyridinylidene)octan-1-amine?
8-(1-octyl-4-pyridinylidene)octan-1-amine has a molecular weight of 318.55 g/mol, XLogP of 5.92, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-octyl-4-pyridinylidene)octan-1-amine is sourced from PubChem (CID 70480066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).