(3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine

C13H23NO — CID 142162585

IUPAC(3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C(\C=C/C)OC)N(CC)CCC
InChIInChI=1S/C13H23NO/c1-6-10-13(15-5)12(8-3)14(9-4)11-7-2/h6,8,10H,3,7,9,11H2,1-2,4-5H3/b10-6-,13-12-
InChIKeyHLIKODMMMLXEMU-IEMYJEBPSA-N
MW209.33 g/mol
LogP3.34
Rot. Bonds7

About (3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine

(3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine (PubChem CID 142162585) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine
PubChem CID142162585
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C(\C=C/C)OC)N(CC)CCC
InChIInChI=1S/C13H23NO/c1-6-10-13(15-5)12(8-3)14(9-4)11-7-2/h6,8,10H,3,7,9,11H2,1-2,4-5H3/b10-6-,13-12-
InChIKeyHLIKODMMMLXEMU-IEMYJEBPSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.34
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 (3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine (CID 142162585) is (3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine is C=C/C(=C(\C=C/C)OC)N(CC)CCC.
What is the InChIKey of (3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine?
The InChIKey is HLIKODMMMLXEMU-IEMYJEBPSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-10-13(15-5)12(8-3)14(9-4)11-7-2/h6,8,10H,3,7,9,11H2,1-2,4-5H3/b10-6-,13-12-.
What are the key properties of (3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine?
(3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine has a molecular weight of 209.33 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-ethyl-4-methoxy-N-propylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 142162585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).