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

C13H27N3 — CID 134406193

IUPAC(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine
SMILESCCNCCN(C)C/C(C)=C/C=C(/C)NC
InChIInChI=1S/C13H27N3/c1-6-15-9-10-16(5)11-12(2)7-8-13(3)14-4/h7-8,14-15H,6,9-11H2,1-5H3/b12-7+,13-8-
InChIKeyFVHDOQOYSVWPHC-GUFPOKFQSA-N
MW225.38 g/mol
LogP1.60
Rot. Bonds8

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

(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine (PubChem CID 134406193) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine.

Molecular Properties

Compound Name(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine
PubChem CID134406193
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine
SMILESCCNCCN(C)C/C(C)=C/C=C(/C)NC
InChIInChI=1S/C13H27N3/c1-6-15-9-10-16(5)11-12(2)7-8-13(3)14-4/h7-8,14-15H,6,9-11H2,1-5H3/b12-7+,13-8-
InChIKeyFVHDOQOYSVWPHC-GUFPOKFQSA-N
XLogP1.60
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.60
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,5-N,2-trimethylhexa-2,4-diene-1,5-diamine?
The IUPAC name of (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine (CID 134406193) is (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine.
What is the SMILES notation for (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine?
The canonical SMILES for (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine is CCNCCN(C)C/C(C)=C/C=C(/C)NC.
What is the InChIKey of (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine?
The InChIKey is FVHDOQOYSVWPHC-GUFPOKFQSA-N. The full InChI is InChI=1S/C13H27N3/c1-6-15-9-10-16(5)11-12(2)7-8-13(3)14-4/h7-8,14-15H,6,9-11H2,1-5H3/b12-7+,13-8-.
What are the key properties of (2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine?
(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N,5-N,2-trimethylhexa-2,4-diene-1,5-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.60, 8 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,5-N,2-trimethylhexa-2,4-diene-1,5-diamine is sourced from PubChem (CID 134406193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).