(2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine

C12H23NO2 — CID 126592191

IUPAC(2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine
SMILESC/C=C\C(=C/C)N(COCC)COCC
InChIInChI=1S/C12H23NO2/c1-5-9-12(6-2)13(10-14-7-3)11-15-8-4/h5-6,9H,7-8,10-11H2,1-4H3/b9-5-,12-6+
InChIKeyDBGBCCGJFPMTLS-JBSCERNYSA-N
MW213.32 g/mol
LogP2.76
Rot. Bonds8

About (2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine

(2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine (PubChem CID 126592191) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine
PubChem CID126592191
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine
SMILESC/C=C\C(=C/C)N(COCC)COCC
InChIInChI=1S/C12H23NO2/c1-5-9-12(6-2)13(10-14-7-3)11-15-8-4/h5-6,9H,7-8,10-11H2,1-4H3/b9-5-,12-6+
InChIKeyDBGBCCGJFPMTLS-JBSCERNYSA-N
XLogP2.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
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,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine (CID 126592191) is (2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine is C/C=C\C(=C/C)N(COCC)COCC.
What is the InChIKey of (2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine?
The InChIKey is DBGBCCGJFPMTLS-JBSCERNYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-9-12(6-2)13(10-14-7-3)11-15-8-4/h5-6,9H,7-8,10-11H2,1-4H3/b9-5-,12-6+.
What are the key properties of (2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine?
(2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine has a molecular weight of 213.32 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,N-bis(ethoxymethyl)hexa-2,4-dien-3-amine is sourced from PubChem (CID 126592191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).