(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine

C11H23N3 — CID 134406221

IUPAC(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine
SMILESCCNCCN(C)C/C=C/C=C(/C)N
InChIInChI=1S/C11H23N3/c1-4-13-8-10-14(3)9-6-5-7-11(2)12/h5-7,13H,4,8-10,12H2,1-3H3/b6-5+,11-7-
InChIKeyQWSZFSYLMZDZMA-VLHCFCLRSA-N
MW197.33 g/mol
LogP0.95
Rot. Bonds7

About (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine

(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine (PubChem CID 134406221) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine.

Molecular Properties

Compound Name(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine
PubChem CID134406221
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine
SMILESCCNCCN(C)C/C=C/C=C(/C)N
InChIInChI=1S/C11H23N3/c1-4-13-8-10-14(3)9-6-5-7-11(2)12/h5-7,13H,4,8-10,12H2,1-3H3/b6-5+,11-7-
InChIKeyQWSZFSYLMZDZMA-VLHCFCLRSA-N
XLogP0.95
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine?
The IUPAC name of (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine (CID 134406221) is (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine.
What is the SMILES notation for (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine?
The canonical SMILES for (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine is CCNCCN(C)C/C=C/C=C(/C)N.
What is the InChIKey of (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine?
The InChIKey is QWSZFSYLMZDZMA-VLHCFCLRSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-13-8-10-14(3)9-6-5-7-11(2)12/h5-7,13H,4,8-10,12H2,1-3H3/b6-5+,11-7-.
What are the key properties of (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine?
(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine has a molecular weight of 197.33 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine is sourced from PubChem (CID 134406221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).