(3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine

C13H21NO — CID 146509571

IUPAC(3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine
SMILESC=COC(=C)/C(=C(C)\C=C/C)N(C)CC
InChIInChI=1S/C13H21NO/c1-7-10-11(4)13(14(6)8-2)12(5)15-9-3/h7,9-10H,3,5,8H2,1-2,4,6H3/b10-7-,13-11+
InChIKeyCFOKAIBWJZCIPW-XQALPWGSSA-N
MW207.32 g/mol
LogP3.46
Rot. Bonds6

About (3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine

(3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine (PubChem CID 146509571) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine
PubChem CID146509571
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine
SMILESC=COC(=C)/C(=C(C)\C=C/C)N(C)CC
InChIInChI=1S/C13H21NO/c1-7-10-11(4)13(14(6)8-2)12(5)15-9-3/h7,9-10H,3,5,8H2,1-2,4,6H3/b10-7-,13-11+
InChIKeyCFOKAIBWJZCIPW-XQALPWGSSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine (CID 146509571) is (3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine is C=COC(=C)/C(=C(C)\C=C/C)N(C)CC.
What is the InChIKey of (3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine?
The InChIKey is CFOKAIBWJZCIPW-XQALPWGSSA-N. The full InChI is InChI=1S/C13H21NO/c1-7-10-11(4)13(14(6)8-2)12(5)15-9-3/h7,9-10H,3,5,8H2,1-2,4,6H3/b10-7-,13-11+.
What are the key properties of (3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine?
(3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine has a molecular weight of 207.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-ethenoxy-N-ethyl-N,4-dimethylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 146509571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).