(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine

C10H19NO — CID 90444789

IUPAC(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
SMILESC/C=C(\C=C/CCCNC)OC
InChIInChI=1S/C10H19NO/c1-4-10(12-3)8-6-5-7-9-11-2/h4,6,8,11H,5,7,9H2,1-3H3/b8-6-,10-4+
InChIKeyOPXDRCGTXOYKSO-YCQMGFCGSA-N
MW169.27 g/mol
LogP2.09
Rot. Bonds6

About (4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine

(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine (PubChem CID 90444789) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
PubChem CID90444789
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
SMILESC/C=C(\C=C/CCCNC)OC
InChIInChI=1S/C10H19NO/c1-4-10(12-3)8-6-5-7-9-11-2/h4,6,8,11H,5,7,9H2,1-3H3/b8-6-,10-4+
InChIKeyOPXDRCGTXOYKSO-YCQMGFCGSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine?
The IUPAC name of (4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine (CID 90444789) is (4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine.
What is the SMILES notation for (4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine?
The canonical SMILES for (4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine is C/C=C(\C=C/CCCNC)OC.
What is the InChIKey of (4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine?
The InChIKey is OPXDRCGTXOYKSO-YCQMGFCGSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(12-3)8-6-5-7-9-11-2/h4,6,8,11H,5,7,9H2,1-3H3/b8-6-,10-4+.
What are the key properties of (4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine?
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine is sourced from PubChem (CID 90444789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).