4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine

C14H25NO — CID 5374728

IUPAC4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine
SMILESCC/C=C(\C=C(/C)CCC)N1CCOCC1
InChIInChI=1S/C14H25NO/c1-4-6-13(3)12-14(7-5-2)15-8-10-16-11-9-15/h7,12H,4-6,8-11H2,1-3H3/b13-12+,14-7+
InChIKeyPSPOLEMJMGPRGK-AJYQRGSPSA-N
MW223.36 g/mol
LogP3.36
Rot. Bonds5

About 4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine

4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine (PubChem CID 5374728) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine.

Molecular Properties

Compound Name4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine
PubChem CID5374728
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine
SMILESCC/C=C(\C=C(/C)CCC)N1CCOCC1
InChIInChI=1S/C14H25NO/c1-4-6-13(3)12-14(7-5-2)15-8-10-16-11-9-15/h7,12H,4-6,8-11H2,1-3H3/b13-12+,14-7+
InChIKeyPSPOLEMJMGPRGK-AJYQRGSPSA-N
XLogP3.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Morpholine, 4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446852
4-[(E)-pent-2-en-3-yl]morpholine
CID 5839066
4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine
CID 10855873
3-Morpholino-2-pentene
CID 10964743
4-[(2E)-2,5-dimethylhexa-2,5-dienyl]morpholine
CID 12485223
4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
CID 12794203
4-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)morpholine
CID 12856181
N-octadienylmorpholine
CID 23467545
(e)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797148
(z)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797149
4-(3,5-Difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine
CID 118618025
4-[(2E,4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]morpholine
CID 144253116

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine?
The IUPAC name of 4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine (CID 5374728) is 4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine.
What is the SMILES notation for 4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine?
The canonical SMILES for 4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine is CC/C=C(\C=C(/C)CCC)N1CCOCC1.
What is the InChIKey of 4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine?
The InChIKey is PSPOLEMJMGPRGK-AJYQRGSPSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-6-13(3)12-14(7-5-2)15-8-10-16-11-9-15/h7,12H,4-6,8-11H2,1-3H3/b13-12+,14-7+.
What are the key properties of 4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine?
4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine has a molecular weight of 223.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5E)-6-methylnona-3,5-dien-4-yl]morpholine is sourced from PubChem (CID 5374728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).