5-methoxy-2-methylhexa-1,5-dien-3-amine

C8H15NO — CID 166855659

IUPAC5-methoxy-2-methylhexa-1,5-dien-3-amine
SMILESC=C(CC(N)C(=C)C)OC
InChIInChI=1S/C8H15NO/c1-6(2)8(9)5-7(3)10-4/h8H,1,3,5,9H2,2,4H3
InChIKeyAWSBIMWAIIFIBZ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.44
Rot. Bonds4

About 5-methoxy-2-methylhexa-1,5-dien-3-amine

5-methoxy-2-methylhexa-1,5-dien-3-amine (PubChem CID 166855659) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-methoxy-2-methylhexa-1,5-dien-3-amine.

Molecular Properties

Compound Name5-methoxy-2-methylhexa-1,5-dien-3-amine
PubChem CID166855659
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-methoxy-2-methylhexa-1,5-dien-3-amine
SMILESC=C(CC(N)C(=C)C)OC
InChIInChI=1S/C8H15NO/c1-6(2)8(9)5-7(3)10-4/h8H,1,3,5,9H2,2,4H3
InChIKeyAWSBIMWAIIFIBZ-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylhexa-1,5-dien-3-amine?
The IUPAC name of 5-methoxy-2-methylhexa-1,5-dien-3-amine (CID 166855659) is 5-methoxy-2-methylhexa-1,5-dien-3-amine.
What is the SMILES notation for 5-methoxy-2-methylhexa-1,5-dien-3-amine?
The canonical SMILES for 5-methoxy-2-methylhexa-1,5-dien-3-amine is C=C(CC(N)C(=C)C)OC.
What is the InChIKey of 5-methoxy-2-methylhexa-1,5-dien-3-amine?
The InChIKey is AWSBIMWAIIFIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)8(9)5-7(3)10-4/h8H,1,3,5,9H2,2,4H3.
What are the key properties of 5-methoxy-2-methylhexa-1,5-dien-3-amine?
5-methoxy-2-methylhexa-1,5-dien-3-amine has a molecular weight of 141.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylhexa-1,5-dien-3-amine is sourced from PubChem (CID 166855659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).