(3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine

C16H29NO3 — CID 134175629

IUPAC(3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C(\C=C\C)OCC)N(C)CCOCCOCC
InChIInChI=1S/C16H29NO3/c1-6-10-16(20-9-4)15(7-2)17(5)11-12-19-14-13-18-8-3/h6-7,10H,2,8-9,11-14H2,1,3-5H3/b10-6+,16-15-
InChIKeyIPKQWRDWWVQBPZ-ZQMRGCAXSA-N
MW283.41 g/mol
LogP2.98
Rot. Bonds12

About (3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine

(3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine (PubChem CID 134175629) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine
PubChem CID134175629
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C(\C=C\C)OCC)N(C)CCOCCOCC
InChIInChI=1S/C16H29NO3/c1-6-10-16(20-9-4)15(7-2)17(5)11-12-19-14-13-18-8-3/h6-7,10H,2,8-9,11-14H2,1,3-5H3/b10-6+,16-15-
InChIKeyIPKQWRDWWVQBPZ-ZQMRGCAXSA-N
XLogP2.98
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine (CID 134175629) is (3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine is C=C/C(=C(\C=C\C)OCC)N(C)CCOCCOCC.
What is the InChIKey of (3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine?
The InChIKey is IPKQWRDWWVQBPZ-ZQMRGCAXSA-N. The full InChI is InChI=1S/C16H29NO3/c1-6-10-16(20-9-4)15(7-2)17(5)11-12-19-14-13-18-8-3/h6-7,10H,2,8-9,11-14H2,1,3-5H3/b10-6+,16-15-.
What are the key properties of (3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine?
(3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine has a molecular weight of 283.41 g/mol, XLogP of 2.98, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]-N-methylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 134175629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).