(3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine

C16H28N2O — CID 89215154

IUPAC(3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine
SMILESC=C(N)/C(C)=C(C)\C(=C/C)N1CC(C)OC(C)C1C
InChIInChI=1S/C16H28N2O/c1-8-16(12(4)11(3)13(5)17)18-9-10(2)19-15(7)14(18)6/h8,10,14-15H,5,9,17H2,1-4,6-7H3/b12-11-,16-8+
InChIKeyFFKWMBAILCNYMZ-JCQHQYFWSA-N
MW264.41 g/mol
LogP3.20
Rot. Bonds3

About (3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine

(3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine (PubChem CID 89215154) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine
PubChem CID89215154
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine
SMILESC=C(N)/C(C)=C(C)\C(=C/C)N1CC(C)OC(C)C1C
InChIInChI=1S/C16H28N2O/c1-8-16(12(4)11(3)13(5)17)18-9-10(2)19-15(7)14(18)6/h8,10,14-15H,5,9,17H2,1-4,6-7H3/b12-11-,16-8+
InChIKeyFFKWMBAILCNYMZ-JCQHQYFWSA-N
XLogP3.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine (CID 89215154) is (3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine is C=C(N)/C(C)=C(C)\C(=C/C)N1CC(C)OC(C)C1C.
What is the InChIKey of (3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine?
The InChIKey is FFKWMBAILCNYMZ-JCQHQYFWSA-N. The full InChI is InChI=1S/C16H28N2O/c1-8-16(12(4)11(3)13(5)17)18-9-10(2)19-15(7)14(18)6/h8,10,14-15H,5,9,17H2,1-4,6-7H3/b12-11-,16-8+.
What are the key properties of (3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine?
(3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3,4-dimethyl-5-(2,3,6-trimethylmorpholin-4-yl)hepta-1,3,5-trien-2-amine is sourced from PubChem (CID 89215154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).