6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine

C10H15NO — CID 141033733

IUPAC6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(OC(C)C)=CC1C
InChIInChI=1S/C10H15NO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4-8,11H,1-3H3/b11-10+
InChIKeyQWEHBVLXNSWFFT-ZHACJKMWSA-N
MW165.24 g/mol
LogP2.52
Rot. Bonds2

About 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine

6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine (PubChem CID 141033733) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine
PubChem CID141033733
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(OC(C)C)=CC1C
InChIInChI=1S/C10H15NO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4-8,11H,1-3H3/b11-10+
InChIKeyQWEHBVLXNSWFFT-ZHACJKMWSA-N
XLogP2.52
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.52
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

Chinolimin-ather
CID 129650042
4-[(2Z)-2-(fluoromethylidene)butoxy]cyclohexa-3,5-diene-1,2-diimine
CID 153556081
4-Methoxycyclohexa-2,4-dien-1-imine
CID 22321529
(6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine
CID 90261421
(4E)-5-(2-methylpropoxy)hepta-4,6-dien-2-imine
CID 123138802
3-(2-Methylprop-1-enyl)-4-propoxyhexa-3,5-dien-2-imine
CID 123171076
3-Ethylidene-6-methyl-4-propoxyhepta-4,6-dien-2-imine
CID 123195093
4-Butoxy-8-methylcycloocta-2,4,5-trien-1-imine
CID 123225478
3-Ethenyl-6-methyl-4-propoxyhepta-3,5-dien-2-imine
CID 123915651
(4Z)-6-methoxyhepta-4,6-dien-3-imine
CID 123937033
3-Ethoxy-7-methylcyclohepta-2,4-dien-1-imine
CID 123961817
1-(4-Ethoxycyclohexa-2,4-dien-1-yl)propan-1-imine
CID 129035990

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine (CID 141033733) is 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC(OC(C)C)=CC1C.
What is the InChIKey of 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine?
The InChIKey is QWEHBVLXNSWFFT-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4-8,11H,1-3H3/b11-10+.
What are the key properties of 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine?
6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine has a molecular weight of 165.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 141033733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).