6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine

C11H17NO — CID 141033732

IUPAC6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(OC(C)(C)C)=CC1C
InChIInChI=1S/C11H17NO/c1-8-7-9(5-6-10(8)12)13-11(2,3)4/h5-8,12H,1-4H3/b12-10+
InChIKeyIKYFBKCMGVGWLV-ZRDIBKRKSA-N
MW179.26 g/mol
LogP2.91
Rot. Bonds1

About 6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine

6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine (PubChem CID 141033732) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine
PubChem CID141033732
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(OC(C)(C)C)=CC1C
InChIInChI=1S/C11H17NO/c1-8-7-9(5-6-10(8)12)13-11(2,3)4/h5-8,12H,1-4H3/b12-10+
InChIKeyIKYFBKCMGVGWLV-ZRDIBKRKSA-N
XLogP2.91
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine (CID 141033732) is 6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC(OC(C)(C)C)=CC1C.
What is the InChIKey of 6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine?
The InChIKey is IKYFBKCMGVGWLV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-7-9(5-6-10(8)12)13-11(2,3)4/h5-8,12H,1-4H3/b12-10+.
What are the key properties of 6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine?
6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine has a molecular weight of 179.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 141033732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).