(1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene

C19H33NO — CID 143612207

IUPAC(1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene
SMILESCC1=CCCC=C1.CCCC/C(=C\C=C(/N)OC)CCC
InChIInChI=1S/C12H23NO.C7H10/c1-4-6-8-11(7-5-2)9-10-12(13)14-3;1-7-5-3-2-4-6-7/h9-10H,4-8,13H2,1-3H3;3,5-6H,2,4H2,1H3/b11-9-,12-10+;
InChIKeyFVEZVBXHIQZTBK-OWCKVOPESA-N
MW291.48 g/mol
LogP5.63
Rot. Bonds7

About (1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene

(1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene (PubChem CID 143612207) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene
PubChem CID143612207
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene
SMILESCC1=CCCC=C1.CCCC/C(=C\C=C(/N)OC)CCC
InChIInChI=1S/C12H23NO.C7H10/c1-4-6-8-11(7-5-2)9-10-12(13)14-3;1-7-5-3-2-4-6-7/h9-10H,4-8,13H2,1-3H3;3,5-6H,2,4H2,1H3/b11-9-,12-10+;
InChIKeyFVEZVBXHIQZTBK-OWCKVOPESA-N
XLogP5.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene?
The IUPAC name of (1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene (CID 143612207) is (1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene.
What is the SMILES notation for (1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene?
The canonical SMILES for (1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene is CC1=CCCC=C1.CCCC/C(=C\C=C(/N)OC)CCC.
What is the InChIKey of (1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene?
The InChIKey is FVEZVBXHIQZTBK-OWCKVOPESA-N. The full InChI is InChI=1S/C12H23NO.C7H10/c1-4-6-8-11(7-5-2)9-10-12(13)14-3;1-7-5-3-2-4-6-7/h9-10H,4-8,13H2,1-3H3;3,5-6H,2,4H2,1H3/b11-9-,12-10+;.
What are the key properties of (1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene?
(1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene has a molecular weight of 291.48 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-methoxy-4-propylocta-1,3-dien-1-amine;2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143612207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).