(2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine

C13H23NO — CID 138546688

IUPAC(2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine
SMILESC=C/C=C\C(=C/C)CN(CC)CCOC
InChIInChI=1S/C13H23NO/c1-5-8-9-13(6-2)12-14(7-3)10-11-15-4/h5-6,8-9H,1,7,10-12H2,2-4H3/b9-8-,13-6+
InChIKeyKAWSEDLGBSVRNT-GFBXJKNCSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds8

About (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine

(2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine (PubChem CID 138546688) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine
PubChem CID138546688
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine
SMILESC=C/C=C\C(=C/C)CN(CC)CCOC
InChIInChI=1S/C13H23NO/c1-5-8-9-13(6-2)12-14(7-3)10-11-15-4/h5-6,8-9H,1,7,10-12H2,2-4H3/b9-8-,13-6+
InChIKeyKAWSEDLGBSVRNT-GFBXJKNCSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine?
The IUPAC name of (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine (CID 138546688) is (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine is C=C/C=C\C(=C/C)CN(CC)CCOC.
What is the InChIKey of (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine?
The InChIKey is KAWSEDLGBSVRNT-GFBXJKNCSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-8-9-13(6-2)12-14(7-3)10-11-15-4/h5-6,8-9H,1,7,10-12H2,2-4H3/b9-8-,13-6+.
What are the key properties of (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine?
(2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine is sourced from PubChem (CID 138546688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).