(3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine

C12H20N2O — CID 118553670

IUPAC(3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine
SMILES[H]/N=C(\C=C/C(C)=C\C)CN1CCOCC1
InChIInChI=1S/C12H20N2O/c1-3-11(2)4-5-12(13)10-14-6-8-15-9-7-14/h3-5,13H,6-10H2,1-2H3/b5-4-,11-3-,13-12+
InChIKeyGTBYHESHENMROV-NFVZFIAFSA-N
MW208.31 g/mol
LogP1.86
Rot. Bonds4

About (3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine

(3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine (PubChem CID 118553670) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine
PubChem CID118553670
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine
SMILES[H]/N=C(\C=C/C(C)=C\C)CN1CCOCC1
InChIInChI=1S/C12H20N2O/c1-3-11(2)4-5-12(13)10-14-6-8-15-9-7-14/h3-5,13H,6-10H2,1-2H3/b5-4-,11-3-,13-12+
InChIKeyGTBYHESHENMROV-NFVZFIAFSA-N
XLogP1.86
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
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 (3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine (CID 118553670) is (3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine is [H]/N=C(\C=C/C(C)=C\C)CN1CCOCC1.
What is the InChIKey of (3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine?
The InChIKey is GTBYHESHENMROV-NFVZFIAFSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-11(2)4-5-12(13)10-14-6-8-15-9-7-14/h3-5,13H,6-10H2,1-2H3/b5-4-,11-3-,13-12+.
What are the key properties of (3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine?
(3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine has a molecular weight of 208.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-methyl-1-morpholin-4-ylhepta-3,5-dien-2-imine is sourced from PubChem (CID 118553670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).