1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine

C18H29N — CID 58951906

IUPAC1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine
SMILESCCc1cccc(CC)c1/C=N/C(C(C)C)C(C)C
InChIInChI=1S/C18H29N/c1-7-15-10-9-11-16(8-2)17(15)12-19-18(13(3)4)14(5)6/h9-14,18H,7-8H2,1-6H3/b19-12+
InChIKeyIQMUQPFRAOSARJ-XDHOZWIPSA-N
MW259.44 g/mol
LogP4.91
Rot. Bonds6

About 1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine

1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine (PubChem CID 58951906) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine
PubChem CID58951906
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine
SMILESCCc1cccc(CC)c1/C=N/C(C(C)C)C(C)C
InChIInChI=1S/C18H29N/c1-7-15-10-9-11-16(8-2)17(15)12-19-18(13(3)4)14(5)6/h9-14,18H,7-8H2,1-6H3/b19-12+
InChIKeyIQMUQPFRAOSARJ-XDHOZWIPSA-N
XLogP4.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine?
The IUPAC name of 1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine (CID 58951906) is 1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine.
What is the SMILES notation for 1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine?
The canonical SMILES for 1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine is CCc1cccc(CC)c1/C=N/C(C(C)C)C(C)C.
What is the InChIKey of 1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine?
The InChIKey is IQMUQPFRAOSARJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H29N/c1-7-15-10-9-11-16(8-2)17(15)12-19-18(13(3)4)14(5)6/h9-14,18H,7-8H2,1-6H3/b19-12+.
What are the key properties of 1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine?
1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine has a molecular weight of 259.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine is sourced from PubChem (CID 58951906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).