4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine

C15H25NO — CID 168999063

IUPAC4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine
SMILESC/C=C(\C=C/C=C(\C)CC)C1CN(C)CCO1
InChIInChI=1S/C15H25NO/c1-5-13(3)8-7-9-14(6-2)15-12-16(4)10-11-17-15/h6-9,15H,5,10-12H2,1-4H3/b9-7-,13-8+,14-6+
InChIKeyJJJHDBBGWIZWHV-WJZODSKISA-N
MW235.37 g/mol
LogP3.18
Rot. Bonds4

About 4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine

4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine (PubChem CID 168999063) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine.

Molecular Properties

Compound Name4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine
PubChem CID168999063
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine
SMILESC/C=C(\C=C/C=C(\C)CC)C1CN(C)CCO1
InChIInChI=1S/C15H25NO/c1-5-13(3)8-7-9-14(6-2)15-12-16(4)10-11-17-15/h6-9,15H,5,10-12H2,1-4H3/b9-7-,13-8+,14-6+
InChIKeyJJJHDBBGWIZWHV-WJZODSKISA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine?
The IUPAC name of 4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine (CID 168999063) is 4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine.
What is the SMILES notation for 4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine?
The canonical SMILES for 4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine is C/C=C(\C=C/C=C(\C)CC)C1CN(C)CCO1.
What is the InChIKey of 4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine?
The InChIKey is JJJHDBBGWIZWHV-WJZODSKISA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13(3)8-7-9-14(6-2)15-12-16(4)10-11-17-15/h6-9,15H,5,10-12H2,1-4H3/b9-7-,13-8+,14-6+.
What are the key properties of 4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine?
4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine has a molecular weight of 235.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2E,4Z,6E)-7-methylnona-2,4,6-trien-3-yl]morpholine is sourced from PubChem (CID 168999063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).