N-(2-methoxyphenyl)undecan-1-imine

C18H29NO — CID 135078926

IUPACN-(2-methoxyphenyl)undecan-1-imine
SMILESCCCCCCCCCC/C=N/c1ccccc1OC
InChIInChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(17)20-2/h11-12,14-16H,3-10,13H2,1-2H3/b19-16+
InChIKeyZKKIAJYYLPOHIO-KNTRCKAVSA-N
MW275.44 g/mol
LogP5.93
Rot. Bonds11

About N-(2-methoxyphenyl)undecan-1-imine

N-(2-methoxyphenyl)undecan-1-imine (PubChem CID 135078926) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)undecan-1-imine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)undecan-1-imine
PubChem CID135078926
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-methoxyphenyl)undecan-1-imine
SMILESCCCCCCCCCC/C=N/c1ccccc1OC
InChIInChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(17)20-2/h11-12,14-16H,3-10,13H2,1-2H3/b19-16+
InChIKeyZKKIAJYYLPOHIO-KNTRCKAVSA-N
XLogP5.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.93
H-Bond Donors ≤ 50
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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Related Compounds

2-(nonylideneamino)phenol
CID 100954410
N-(2-methoxyphenyl)-3-methylbutan-1-imine
CID 67735547
2-(heptylideneamino)benzoic acid
CID 24833810
1-methoxy-2-[(E)-undec-2-en-2-yl]benzene
CID 101435872
1-methoxy-2-tetradecylbenzene
CID 69169530
4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-pentyl-1,3-thiazole-2-thione
CID 135398859
bis(2-methoxyphenyl)diazene
CID 11947
N-(4-methylphenyl)nonan-1-imine
CID 10998858
N-(2-trimethylsilylsulfanylphenyl)pentan-1-imine
CID 140768343
N-(2,6-ditert-butylphenyl)octan-1-imine
CID 42636627
(2-methoxyphenyl) octanoate
CID 68908014
(2-methoxyphenyl) dodecanoate
CID 139927041

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)undecan-1-imine?
The IUPAC name of N-(2-methoxyphenyl)undecan-1-imine (CID 135078926) is N-(2-methoxyphenyl)undecan-1-imine.
What is the SMILES notation for N-(2-methoxyphenyl)undecan-1-imine?
The canonical SMILES for N-(2-methoxyphenyl)undecan-1-imine is CCCCCCCCCC/C=N/c1ccccc1OC.
What is the InChIKey of N-(2-methoxyphenyl)undecan-1-imine?
The InChIKey is ZKKIAJYYLPOHIO-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(17)20-2/h11-12,14-16H,3-10,13H2,1-2H3/b19-16+.
What are the key properties of N-(2-methoxyphenyl)undecan-1-imine?
N-(2-methoxyphenyl)undecan-1-imine has a molecular weight of 275.44 g/mol, XLogP of 5.93, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)undecan-1-imine is sourced from PubChem (CID 135078926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).