N'-(2-methylphenyl)-N-pentylmethanediimine

C13H18N2 — CID 150814814

IUPACN'-(2-methylphenyl)-N-pentylmethanediimine
SMILESCCCCCN=C=Nc1ccccc1C
InChIInChI=1S/C13H18N2/c1-3-4-7-10-14-11-15-13-9-6-5-8-12(13)2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyKIQNQHPLSOABLJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.99
Rot. Bonds5

About N'-(2-methylphenyl)-N-pentylmethanediimine

N'-(2-methylphenyl)-N-pentylmethanediimine (PubChem CID 150814814) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-(2-methylphenyl)-N-pentylmethanediimine.

Molecular Properties

Compound NameN'-(2-methylphenyl)-N-pentylmethanediimine
PubChem CID150814814
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN'-(2-methylphenyl)-N-pentylmethanediimine
SMILESCCCCCN=C=Nc1ccccc1C
InChIInChI=1S/C13H18N2/c1-3-4-7-10-14-11-15-13-9-6-5-8-12(13)2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyKIQNQHPLSOABLJ-UHFFFAOYSA-N
XLogP3.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.99
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

tetrakis(hexane);tris(1,2-xylene)
CID 173431292
N,N'-dioctadecylmethanediimine
CID 10918627
N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine
CID 172764261
isocyanatobenzene;1-isocyanatopentane;1-isocyanatopropane
CID 174923559
N'-pentyl-N-propylmethanediimine
CID 88904849
N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethylideneamino]phenyl]methanediimine
CID 154177010
N'-(2,6-dimethylphenyl)-N-[5-[(2,6-dimethylphenyl)iminomethylideneamino]pentyl]methanediimine;N'-[2,6-di(propan-2-yl)phenyl]-N-[5-[[2,6-di(propan-2-yl)phenyl]iminomethylideneamino]pentyl]methanediimine
CID 158711664
hexane;1,2,3-trimethylbenzene
CID 159405289
N-hexyl-2-phenylprop-1-en-1-imine
CID 87132233
tetrabutylazanium;1,2-xylene
CID 69453766
2-butyl-1,3-diisocyanatobenzene
CID 87259034
ethane;N-(2-methylphenyl)butan-2-imine
CID 142132579

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)-N-pentylmethanediimine?
The IUPAC name of N'-(2-methylphenyl)-N-pentylmethanediimine (CID 150814814) is N'-(2-methylphenyl)-N-pentylmethanediimine.
What is the SMILES notation for N'-(2-methylphenyl)-N-pentylmethanediimine?
The canonical SMILES for N'-(2-methylphenyl)-N-pentylmethanediimine is CCCCCN=C=Nc1ccccc1C.
What is the InChIKey of N'-(2-methylphenyl)-N-pentylmethanediimine?
The InChIKey is KIQNQHPLSOABLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-4-7-10-14-11-15-13-9-6-5-8-12(13)2/h5-6,8-9H,3-4,7,10H2,1-2H3.
What are the key properties of N'-(2-methylphenyl)-N-pentylmethanediimine?
N'-(2-methylphenyl)-N-pentylmethanediimine has a molecular weight of 202.30 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)-N-pentylmethanediimine is sourced from PubChem (CID 150814814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).