4-methoxy-N-methylhexa-1,5-dien-2-amine

C8H15NO — CID 88966208

IUPAC4-methoxy-N-methylhexa-1,5-dien-2-amine
SMILESC=CC(CC(=C)NC)OC
InChIInChI=1S/C8H15NO/c1-5-8(10-4)6-7(2)9-3/h5,8-9H,1-2,6H2,3-4H3
InChIKeyFVGVWWPVILQFHO-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds5

About 4-methoxy-N-methylhexa-1,5-dien-2-amine

4-methoxy-N-methylhexa-1,5-dien-2-amine (PubChem CID 88966208) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-methoxy-N-methylhexa-1,5-dien-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methylhexa-1,5-dien-2-amine
PubChem CID88966208
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-methoxy-N-methylhexa-1,5-dien-2-amine
SMILESC=CC(CC(=C)NC)OC
InChIInChI=1S/C8H15NO/c1-5-8(10-4)6-7(2)9-3/h5,8-9H,1-2,6H2,3-4H3
InChIKeyFVGVWWPVILQFHO-UHFFFAOYSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methylhexa-1,5-dien-2-amine?
The IUPAC name of 4-methoxy-N-methylhexa-1,5-dien-2-amine (CID 88966208) is 4-methoxy-N-methylhexa-1,5-dien-2-amine.
What is the SMILES notation for 4-methoxy-N-methylhexa-1,5-dien-2-amine?
The canonical SMILES for 4-methoxy-N-methylhexa-1,5-dien-2-amine is C=CC(CC(=C)NC)OC.
What is the InChIKey of 4-methoxy-N-methylhexa-1,5-dien-2-amine?
The InChIKey is FVGVWWPVILQFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-8(10-4)6-7(2)9-3/h5,8-9H,1-2,6H2,3-4H3.
What are the key properties of 4-methoxy-N-methylhexa-1,5-dien-2-amine?
4-methoxy-N-methylhexa-1,5-dien-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methylhexa-1,5-dien-2-amine is sourced from PubChem (CID 88966208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).