N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine

C19H32N2O — CID 153345655

IUPACN-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine
SMILESCCC/C=C(C)/C(=C\C=C(/C)N1CCOCC1)/N=C(\C)CC
InChIInChI=1S/C19H32N2O/c1-6-8-9-16(3)19(20-17(4)7-2)11-10-18(5)21-12-14-22-15-13-21/h9-11H,6-8,12-15H2,1-5H3/b16-9+,18-10+,19-11+,20-17+
InChIKeyIWSVQLNIUWSFNC-FSMZBCKSSA-N
MW304.48 g/mol
LogP4.72
Rot. Bonds7

About N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine

N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine (PubChem CID 153345655) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine.

Molecular Properties

Compound NameN-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine
PubChem CID153345655
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine
SMILESCCC/C=C(C)/C(=C\C=C(/C)N1CCOCC1)/N=C(\C)CC
InChIInChI=1S/C19H32N2O/c1-6-8-9-16(3)19(20-17(4)7-2)11-10-18(5)21-12-14-22-15-13-21/h9-11H,6-8,12-15H2,1-5H3/b16-9+,18-10+,19-11+,20-17+
InChIKeyIWSVQLNIUWSFNC-FSMZBCKSSA-N
XLogP4.72
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine?
The IUPAC name of N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine (CID 153345655) is N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine.
What is the SMILES notation for N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine?
The canonical SMILES for N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine is CCC/C=C(C)/C(=C\C=C(/C)N1CCOCC1)/N=C(\C)CC.
What is the InChIKey of N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine?
The InChIKey is IWSVQLNIUWSFNC-FSMZBCKSSA-N. The full InChI is InChI=1S/C19H32N2O/c1-6-8-9-16(3)19(20-17(4)7-2)11-10-18(5)21-12-14-22-15-13-21/h9-11H,6-8,12-15H2,1-5H3/b16-9+,18-10+,19-11+,20-17+.
What are the key properties of N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine?
N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine has a molecular weight of 304.48 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine is sourced from PubChem (CID 153345655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).