(2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine

C14H23NO2 — CID 146231971

IUPAC(2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine
SMILESC/C=C\C=C/C(=C\C)N(CCOC)CC1CO1
InChIInChI=1S/C14H23NO2/c1-4-6-7-8-13(5-2)15(9-10-16-3)11-14-12-17-14/h4-8,14H,9-12H2,1-3H3/b6-4-,8-7-,13-5+
InChIKeyAHZZVAMZYGFLLO-WFRMCWMISA-N
MW237.34 g/mol
LogP2.37
Rot. Bonds8

About (2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine

(2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine (PubChem CID 146231971) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine
PubChem CID146231971
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine
SMILESC/C=C\C=C/C(=C\C)N(CCOC)CC1CO1
InChIInChI=1S/C14H23NO2/c1-4-6-7-8-13(5-2)15(9-10-16-3)11-14-12-17-14/h4-8,14H,9-12H2,1-3H3/b6-4-,8-7-,13-5+
InChIKeyAHZZVAMZYGFLLO-WFRMCWMISA-N
XLogP2.37
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine (CID 146231971) is (2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine is C/C=C\C=C/C(=C\C)N(CCOC)CC1CO1.
What is the InChIKey of (2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine?
The InChIKey is AHZZVAMZYGFLLO-WFRMCWMISA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-6-7-8-13(5-2)15(9-10-16-3)11-14-12-17-14/h4-8,14H,9-12H2,1-3H3/b6-4-,8-7-,13-5+.
What are the key properties of (2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine?
(2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine has a molecular weight of 237.34 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-N-(2-methoxyethyl)-N-(oxiran-2-ylmethyl)octa-2,4,6-trien-3-amine is sourced from PubChem (CID 146231971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).