6-methoxy-N-methylocta-4,6-dien-1-amine

C10H19NO — CID 123371000

IUPAC6-methoxy-N-methylocta-4,6-dien-1-amine
SMILESCC=C(C=CCCCNC)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
InChIKeyOPXDRCGTXOYKSO-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.09
Rot. Bonds6

About 6-methoxy-N-methylocta-4,6-dien-1-amine

6-methoxy-N-methylocta-4,6-dien-1-amine (PubChem CID 123371000) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-methoxy-N-methylocta-4,6-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-N-methylocta-4,6-dien-1-amine
PubChem CID123371000
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-methoxy-N-methylocta-4,6-dien-1-amine
SMILESCC=C(C=CCCCNC)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
InChIKeyOPXDRCGTXOYKSO-UHFFFAOYSA-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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Related Compounds

N-[(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
CID 67926730
1-(3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 68046425
2-(1-iodo-4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
CID 71015130
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 88992990
1-(3-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 88997268
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
CID 90444789
6-Methoxynona-4,6-dien-2-amine
CID 90755052
2-(3-Methoxycyclohepta-1,3,6-trien-1-yl)ethanamine
CID 90818419
4-methoxy-N-methylcyclohexa-2,4-dien-1-amine
CID 90855668
5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 123422902

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methylocta-4,6-dien-1-amine?
The IUPAC name of 6-methoxy-N-methylocta-4,6-dien-1-amine (CID 123371000) is 6-methoxy-N-methylocta-4,6-dien-1-amine.
What is the SMILES notation for 6-methoxy-N-methylocta-4,6-dien-1-amine?
The canonical SMILES for 6-methoxy-N-methylocta-4,6-dien-1-amine is CC=C(C=CCCCNC)OC.
What is the InChIKey of 6-methoxy-N-methylocta-4,6-dien-1-amine?
The InChIKey is OPXDRCGTXOYKSO-UHFFFAOYSA-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.
What are the key properties of 6-methoxy-N-methylocta-4,6-dien-1-amine?
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 6-methoxy-N-methylocta-4,6-dien-1-amine is sourced from PubChem (CID 123371000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).