N-(4-methylphenyl)nonan-1-imine

C16H25N — CID 10998858

IUPACN-(4-methylphenyl)nonan-1-imine
SMILESCCCCCCCC/C=N/c1ccc(C)cc1
InChIInChI=1S/C16H25N/c1-3-4-5-6-7-8-9-14-17-16-12-10-15(2)11-13-16/h10-14H,3-9H2,1-2H3/b17-14+
InChIKeyIIBPCNABQRWBQH-SAPNQHFASA-N
MW231.38 g/mol
LogP5.45
Rot. Bonds8

About N-(4-methylphenyl)nonan-1-imine

N-(4-methylphenyl)nonan-1-imine (PubChem CID 10998858) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(4-methylphenyl)nonan-1-imine.

Molecular Properties

Compound NameN-(4-methylphenyl)nonan-1-imine
PubChem CID10998858
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(4-methylphenyl)nonan-1-imine
SMILESCCCCCCCC/C=N/c1ccc(C)cc1
InChIInChI=1S/C16H25N/c1-3-4-5-6-7-8-9-14-17-16-12-10-15(2)11-13-16/h10-14H,3-9H2,1-2H3/b17-14+
InChIKeyIIBPCNABQRWBQH-SAPNQHFASA-N
XLogP5.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
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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Related Compounds

N-(4-chlorophenyl)hexan-1-imine
CID 91100522
N-[4-[3-[3-(undecylideneamino)phenyl]propyl]phenyl]undecan-1-imine
CID 67216088
2-(nonylideneamino)phenol
CID 100954410
ethene;hexanal;1,4-xylene
CID 145294494
CID 164584881
CID 164584881
N-(2,6-ditert-butylphenyl)octan-1-imine
CID 42636627
formaldehyde;hexane;1,4-xylene
CID 143308406
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N-(2-methoxyphenyl)undecan-1-imine
CID 135078926
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine
CID 162517855
dodecyl-tris(4-methylphenyl)phosphanium
CID 22556424

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)nonan-1-imine?
The IUPAC name of N-(4-methylphenyl)nonan-1-imine (CID 10998858) is N-(4-methylphenyl)nonan-1-imine.
What is the SMILES notation for N-(4-methylphenyl)nonan-1-imine?
The canonical SMILES for N-(4-methylphenyl)nonan-1-imine is CCCCCCCC/C=N/c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)nonan-1-imine?
The InChIKey is IIBPCNABQRWBQH-SAPNQHFASA-N. The full InChI is InChI=1S/C16H25N/c1-3-4-5-6-7-8-9-14-17-16-12-10-15(2)11-13-16/h10-14H,3-9H2,1-2H3/b17-14+.
What are the key properties of N-(4-methylphenyl)nonan-1-imine?
N-(4-methylphenyl)nonan-1-imine has a molecular weight of 231.38 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)nonan-1-imine is sourced from PubChem (CID 10998858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).