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

C10H15NO — CID 141049801

IUPAC6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1OC(C)(C)C
InChIInChI=1S/C10H15NO/c1-10(2,3)12-9-7-5-4-6-8(9)11/h4-7,9,11H,1-3H3/b11-8+
InChIKeyQHEQLJHWFWYIOB-DHZHZOJOSA-N
MW165.24 g/mol
LogP2.32
Rot. Bonds1

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

6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine (PubChem CID 141049801) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine
PubChem CID141049801
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1OC(C)(C)C
InChIInChI=1S/C10H15NO/c1-10(2,3)12-9-7-5-4-6-8(9)11/h4-7,9,11H,1-3H3/b11-8+
InChIKeyQHEQLJHWFWYIOB-DHZHZOJOSA-N
XLogP2.32
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine
CID 141112183
2-hydroxy-2-(6-iminocyclohexa-2,4-dien-1-yl)acetic acid
CID 154344498
6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine
CID 151273626
1-methyl-4a,8a-dihydroquinolin-4-imine
CID 163905803
3-imino-2-[(6E)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]cyclohexa-2,4-dien-1-yl]oxypropanoic acid
CID 139662456
2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one
CID 13328443
5-methoxy-6-sulfonylcyclohexa-1,3-diene
CID 54181841
2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene
CID 15495842
4-ethyl-6-methylcyclohex-2-en-1-imine
CID 123694075
3-[(2-methylpropan-2-yl)oxy]cyclohexa-1,4-diene
CID 69013227
3-methylcyclohepta-1,4,6-trien-1-ol
CID 18714791
N-tert-butyl-6-chlorocyclohexa-2,4-dien-1-imine
CID 70258379

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine (CID 141049801) is 6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1OC(C)(C)C.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine?
The InChIKey is QHEQLJHWFWYIOB-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2,3)12-9-7-5-4-6-8(9)11/h4-7,9,11H,1-3H3/b11-8+.
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine?
6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine has a molecular weight of 165.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 141049801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).