N-(2,4,6-trimethylphenyl)pentan-3-imine

C14H21N — CID 45096866

IUPACN-(2,4,6-trimethylphenyl)pentan-3-imine
SMILESCCC(CC)=Nc1c(C)cc(C)cc1C
InChIInChI=1S/C14H21N/c1-6-13(7-2)15-14-11(4)8-10(3)9-12(14)5/h8-9H,6-7H2,1-5H3
InChIKeyCDGVFPHYBNOEGT-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.50
Rot. Bonds3

About N-(2,4,6-trimethylphenyl)pentan-3-imine

N-(2,4,6-trimethylphenyl)pentan-3-imine (PubChem CID 45096866) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(2,4,6-trimethylphenyl)pentan-3-imine.

Molecular Properties

Compound NameN-(2,4,6-trimethylphenyl)pentan-3-imine
PubChem CID45096866
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-(2,4,6-trimethylphenyl)pentan-3-imine
SMILESCCC(CC)=Nc1c(C)cc(C)cc1C
InChIInChI=1S/C14H21N/c1-6-13(7-2)15-14-11(4)8-10(3)9-12(14)5/h8-9H,6-7H2,1-5H3
InChIKeyCDGVFPHYBNOEGT-UHFFFAOYSA-N
XLogP4.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4,6-trimethylphenyl)propan-2-imine
CID 129229115
2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide
CID 169364909
1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide
CID 5246161
2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline
CID 102367216
1,2-diphenyl-N-(2,4,6-trimethylphenyl)ethanimine
CID 58339608
1-(2-fluoro-4,6-dimethylphenyl)-N-methylbutan-2-imine
CID 170264537
1,1-bis(2,4,6-trimethylphenyl)but-1-en-2-ol
CID 86120683
3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide
CID 102233821
2-(2-chloro-4,6-dimethylphenyl)guanidine
CID 57071675
2-[benzyl(diethyl)azaniumyl]-N-(2,4,6-trimethylphenyl)ethanimidate;hydrochloride
CID 138402268
2-[2-(chloromethyl)but-1-enyl]-1,3,5-trimethylbenzene
CID 79335494
2-[2-(bromomethyl)but-1-enyl]-1,3,5-trimethylbenzene
CID 79323296

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethylphenyl)pentan-3-imine?
The IUPAC name of N-(2,4,6-trimethylphenyl)pentan-3-imine (CID 45096866) is N-(2,4,6-trimethylphenyl)pentan-3-imine.
What is the SMILES notation for N-(2,4,6-trimethylphenyl)pentan-3-imine?
The canonical SMILES for N-(2,4,6-trimethylphenyl)pentan-3-imine is CCC(CC)=Nc1c(C)cc(C)cc1C.
What is the InChIKey of N-(2,4,6-trimethylphenyl)pentan-3-imine?
The InChIKey is CDGVFPHYBNOEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-6-13(7-2)15-14-11(4)8-10(3)9-12(14)5/h8-9H,6-7H2,1-5H3.
What are the key properties of N-(2,4,6-trimethylphenyl)pentan-3-imine?
N-(2,4,6-trimethylphenyl)pentan-3-imine has a molecular weight of 203.33 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethylphenyl)pentan-3-imine is sourced from PubChem (CID 45096866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).