(5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine

C36H58N2 — CID 22159020

IUPAC(5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine
SMILES[H]/N=C/c1ccc2c(CCCCCCCCCCCC)c(/C=N/[H])c(CCCCCCCCCCCC)cc2c1
InChIInChI=1S/C36H58N2/c1-3-5-7-9-11-13-15-17-19-21-23-32-28-33-27-31(29-37)25-26-34(33)35(36(32)30-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-30,37-38H,3-24H2,1-2H3/b37-29+,38-30+
InChIKeyFDJVPIVTLWWAIU-UDEUAJILSA-N
MW518.87 g/mol
LogP11.76
Rot. Bonds24

About (5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine

(5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine (PubChem CID 22159020) has the molecular formula C36H58N2 and a molecular weight of 518.87 g/mol. Its IUPAC name is (5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine.

Molecular Properties

Compound Name(5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine
PubChem CID22159020
Molecular FormulaC36H58N2
Molecular Weight518.87 g/mol
Exact Mass518.46
IUPAC Name(5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine
SMILES[H]/N=C/c1ccc2c(CCCCCCCCCCCC)c(/C=N/[H])c(CCCCCCCCCCCC)cc2c1
InChIInChI=1S/C36H58N2/c1-3-5-7-9-11-13-15-17-19-21-23-32-28-33-27-31(29-37)25-26-34(33)35(36(32)30-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-30,37-38H,3-24H2,1-2H3/b37-29+,38-30+
InChIKeyFDJVPIVTLWWAIU-UDEUAJILSA-N
XLogP11.76
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.87
LogP ≤ 511.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine?
The IUPAC name of (5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine (CID 22159020) is (5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine.
What is the SMILES notation for (5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine?
The canonical SMILES for (5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine is [H]/N=C/c1ccc2c(CCCCCCCCCCCC)c(/C=N/[H])c(CCCCCCCCCCCC)cc2c1.
What is the InChIKey of (5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine?
The InChIKey is FDJVPIVTLWWAIU-UDEUAJILSA-N. The full InChI is InChI=1S/C36H58N2/c1-3-5-7-9-11-13-15-17-19-21-23-32-28-33-27-31(29-37)25-26-34(33)35(36(32)30-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-30,37-38H,3-24H2,1-2H3/b37-29+,38-30+.
What are the key properties of (5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine?
(5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine has a molecular weight of 518.87 g/mol, XLogP of 11.76, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-didodecyl-6-methanimidoylnaphthalen-2-yl)methanimine is sourced from PubChem (CID 22159020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).