2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine

C17H25N — CID 102080262

IUPAC2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine
SMILESC=C(C)CC(C)(C)/C=N/c1c(C)cc(C)cc1C
InChIInChI=1S/C17H25N/c1-12(2)10-17(6,7)11-18-16-14(4)8-13(3)9-15(16)5/h8-9,11H,1,10H2,2-7H3/b18-11+
InChIKeyBSKQAEYGTXFSME-WOJGMQOQSA-N
MW243.39 g/mol
LogP5.31
Rot. Bonds4

About 2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine

2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine (PubChem CID 102080262) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine.

Molecular Properties

Compound Name2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine
PubChem CID102080262
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine
SMILESC=C(C)CC(C)(C)/C=N/c1c(C)cc(C)cc1C
InChIInChI=1S/C17H25N/c1-12(2)10-17(6,7)11-18-16-14(4)8-13(3)9-15(16)5/h8-9,11H,1,10H2,2-7H3/b18-11+
InChIKeyBSKQAEYGTXFSME-WOJGMQOQSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine
CID 132595705
N,2-bis(2,4,6-trimethylphenyl)ethanimine
CID 58224188
N-(2,4,6-trimethylphenyl)propan-2-imine
CID 129229115
N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine
CID 18718526
2-methyl-N-(2,4,6-trimethylphenyl)buta-1,3-dien-1-imine
CID 12789626
1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718632
2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine
CID 158160555
N,N'-bis(2,4,6-trimethylphenyl)methanimidamide
CID 3355627
2-[(2,4,6-trimethylphenyl)iminomethyl]cyclopenta-2,4-dien-1-ol
CID 101476751
3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol
CID 115816847
1-methyl-3,5-bis(3-methylbut-3-enyl)benzene
CID 599502
N-(2,4,6-trimethylphenyl)pentan-3-imine
CID 45096866

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine?
The IUPAC name of 2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine (CID 102080262) is 2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine.
What is the SMILES notation for 2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine?
The canonical SMILES for 2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine is C=C(C)CC(C)(C)/C=N/c1c(C)cc(C)cc1C.
What is the InChIKey of 2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine?
The InChIKey is BSKQAEYGTXFSME-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H25N/c1-12(2)10-17(6,7)11-18-16-14(4)8-13(3)9-15(16)5/h8-9,11H,1,10H2,2-7H3/b18-11+.
What are the key properties of 2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine?
2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine has a molecular weight of 243.39 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine is sourced from PubChem (CID 102080262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).