4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine

C10H17NO — CID 123181002

IUPAC4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine
SMILES[H]/N=C/C(C)=CC(=CC(C)C)OC
InChIInChI=1S/C10H17NO/c1-8(2)5-10(12-4)6-9(3)7-11/h5-8,11H,1-4H3/b9-6?,10-5?,11-7+
InChIKeyRSSFZBIIMXEZAN-FXPCNQFDSA-N
MW167.25 g/mol
LogP2.77
Rot. Bonds4

About 4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine

4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine (PubChem CID 123181002) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine
PubChem CID123181002
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine
SMILES[H]/N=C/C(C)=CC(=CC(C)C)OC
InChIInChI=1S/C10H17NO/c1-8(2)5-10(12-4)6-9(3)7-11/h5-8,11H,1-4H3/b9-6?,10-5?,11-7+
InChIKeyRSSFZBIIMXEZAN-FXPCNQFDSA-N
XLogP2.77
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine?
The IUPAC name of 4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine (CID 123181002) is 4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine.
What is the SMILES notation for 4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine?
The canonical SMILES for 4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine is [H]/N=C/C(C)=CC(=CC(C)C)OC.
What is the InChIKey of 4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine?
The InChIKey is RSSFZBIIMXEZAN-FXPCNQFDSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)5-10(12-4)6-9(3)7-11/h5-8,11H,1-4H3/b9-6?,10-5?,11-7+.
What are the key properties of 4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine?
4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine has a molecular weight of 167.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethylhepta-2,4-dien-1-imine is sourced from PubChem (CID 123181002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).