3-methoxy-2-methylcyclohex-2-en-1-imine

C8H13NO — CID 143454049

IUPAC3-methoxy-2-methylcyclohex-2-en-1-imine
SMILES[H]/N=C1\CCCC(OC)=C1C
InChIInChI=1S/C8H13NO/c1-6-7(9)4-3-5-8(6)10-2/h9H,3-5H2,1-2H3/b9-7+
InChIKeyRENYMJIEVUEIEY-VQHVLOKHSA-N
MW139.20 g/mol
LogP2.11
Rot. Bonds1

About 3-methoxy-2-methylcyclohex-2-en-1-imine

3-methoxy-2-methylcyclohex-2-en-1-imine (PubChem CID 143454049) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methoxy-2-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-methoxy-2-methylcyclohex-2-en-1-imine
PubChem CID143454049
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methoxy-2-methylcyclohex-2-en-1-imine
SMILES[H]/N=C1\CCCC(OC)=C1C
InChIInChI=1S/C8H13NO/c1-6-7(9)4-3-5-8(6)10-2/h9H,3-5H2,1-2H3/b9-7+
InChIKeyRENYMJIEVUEIEY-VQHVLOKHSA-N
XLogP2.11
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.11
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 3-methoxy-2-methylcyclohex-2-en-1-imine?
The IUPAC name of 3-methoxy-2-methylcyclohex-2-en-1-imine (CID 143454049) is 3-methoxy-2-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 3-methoxy-2-methylcyclohex-2-en-1-imine?
The canonical SMILES for 3-methoxy-2-methylcyclohex-2-en-1-imine is [H]/N=C1\CCCC(OC)=C1C.
What is the InChIKey of 3-methoxy-2-methylcyclohex-2-en-1-imine?
The InChIKey is RENYMJIEVUEIEY-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-7(9)4-3-5-8(6)10-2/h9H,3-5H2,1-2H3/b9-7+.
What are the key properties of 3-methoxy-2-methylcyclohex-2-en-1-imine?
3-methoxy-2-methylcyclohex-2-en-1-imine has a molecular weight of 139.20 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 143454049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).