1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine

C11H15NO — CID 142030264

IUPAC1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1=CC=C(OC)C(C)=CC1
InChIInChI=1S/C11H15NO/c1-8-4-5-10(9(2)12)6-7-11(8)13-3/h4,6-7,12H,5H2,1-3H3/b12-9+
InChIKeyYGSDNDBXORYJPD-FMIVXFBMSA-N
MW177.25 g/mol
LogP2.83
Rot. Bonds2

About 1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine

1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine (PubChem CID 142030264) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine.

Molecular Properties

Compound Name1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine
PubChem CID142030264
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1=CC=C(OC)C(C)=CC1
InChIInChI=1S/C11H15NO/c1-8-4-5-10(9(2)12)6-7-11(8)13-3/h4,6-7,12H,5H2,1-3H3/b12-9+
InChIKeyYGSDNDBXORYJPD-FMIVXFBMSA-N
XLogP2.83
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.83
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 1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine?
The IUPAC name of 1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine (CID 142030264) is 1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine.
What is the SMILES notation for 1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine?
The canonical SMILES for 1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine is [H]/N=C(\C)C1=CC=C(OC)C(C)=CC1.
What is the InChIKey of 1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine?
The InChIKey is YGSDNDBXORYJPD-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-4-5-10(9(2)12)6-7-11(8)13-3/h4,6-7,12H,5H2,1-3H3/b12-9+.
What are the key properties of 1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine?
1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine has a molecular weight of 177.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)ethanimine is sourced from PubChem (CID 142030264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).