9,11-diethylnonadecan-10-imine

C23H47N — CID 57188736

IUPAC9,11-diethylnonadecan-10-imine
SMILES[H]N=C(C(CC)CCCCCCCC)C(CC)CCCCCCCC
InChIInChI=1S/C23H47N/c1-5-9-11-13-15-17-19-21(7-3)23(24)22(8-4)20-18-16-14-12-10-6-2/h21-22,24H,5-20H2,1-4H3
InChIKeyIXPSSJCPAKHLPR-UHFFFAOYSA-N
MW337.64 g/mol
LogP8.56
Rot. Bonds18

About 9,11-diethylnonadecan-10-imine

9,11-diethylnonadecan-10-imine (PubChem CID 57188736) has the molecular formula C23H47N and a molecular weight of 337.64 g/mol. Its IUPAC name is 9,11-diethylnonadecan-10-imine.

Molecular Properties

Compound Name9,11-diethylnonadecan-10-imine
PubChem CID57188736
Molecular FormulaC23H47N
Molecular Weight337.64 g/mol
Exact Mass337.37
IUPAC Name9,11-diethylnonadecan-10-imine
SMILES[H]N=C(C(CC)CCCCCCCC)C(CC)CCCCCCCC
InChIInChI=1S/C23H47N/c1-5-9-11-13-15-17-19-21(7-3)23(24)22(8-4)20-18-16-14-12-10-6-2/h21-22,24H,5-20H2,1-4H3
InChIKeyIXPSSJCPAKHLPR-UHFFFAOYSA-N
XLogP8.56
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,11-diethylnonadecan-10-imine?
The IUPAC name of 9,11-diethylnonadecan-10-imine (CID 57188736) is 9,11-diethylnonadecan-10-imine.
What is the SMILES notation for 9,11-diethylnonadecan-10-imine?
The canonical SMILES for 9,11-diethylnonadecan-10-imine is [H]N=C(C(CC)CCCCCCCC)C(CC)CCCCCCCC.
What is the InChIKey of 9,11-diethylnonadecan-10-imine?
The InChIKey is IXPSSJCPAKHLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N/c1-5-9-11-13-15-17-19-21(7-3)23(24)22(8-4)20-18-16-14-12-10-6-2/h21-22,24H,5-20H2,1-4H3.
What are the key properties of 9,11-diethylnonadecan-10-imine?
9,11-diethylnonadecan-10-imine has a molecular weight of 337.64 g/mol, XLogP of 8.56, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-diethylnonadecan-10-imine is sourced from PubChem (CID 57188736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).