(2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine

C13H23NO2 — CID 88853616

IUPAC(2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine
SMILESC=C(C)/C=C\C(=C/C)CNCC(OC)OC
InChIInChI=1S/C13H23NO2/c1-6-12(8-7-11(2)3)9-14-10-13(15-4)16-5/h6-8,13-14H,2,9-10H2,1,3-5H3/b8-7-,12-6-
InChIKeySJAWIEVMNWDISG-NHCUHXEMSA-N
MW225.33 g/mol
LogP2.27
Rot. Bonds8

About (2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine

(2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine (PubChem CID 88853616) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine
PubChem CID88853616
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine
SMILESC=C(C)/C=C\C(=C/C)CNCC(OC)OC
InChIInChI=1S/C13H23NO2/c1-6-12(8-7-11(2)3)9-14-10-13(15-4)16-5/h6-8,13-14H,2,9-10H2,1,3-5H3/b8-7-,12-6-
InChIKeySJAWIEVMNWDISG-NHCUHXEMSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine?
The IUPAC name of (2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine (CID 88853616) is (2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine is C=C(C)/C=C\C(=C/C)CNCC(OC)OC.
What is the InChIKey of (2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine?
The InChIKey is SJAWIEVMNWDISG-NHCUHXEMSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-12(8-7-11(2)3)9-14-10-13(15-4)16-5/h6-8,13-14H,2,9-10H2,1,3-5H3/b8-7-,12-6-.
What are the key properties of (2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine?
(2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-(2,2-dimethoxyethyl)-2-ethylidene-5-methylhexa-3,5-dien-1-amine is sourced from PubChem (CID 88853616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).