(E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine

C9H21N3 — CID 155329282

IUPAC(E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine
SMILESCC/C(=C\CN)C(NC)N(C)C
InChIInChI=1S/C9H21N3/c1-5-8(6-7-10)9(11-2)12(3)4/h6,9,11H,5,7,10H2,1-4H3/b8-6+
InChIKeyLXWGNHXUWNSAEN-SOFGYWHQSA-N
MW171.29 g/mol
LogP0.39
Rot. Bonds5

About (E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine

(E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine (PubChem CID 155329282) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine.

Molecular Properties

Compound Name(E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine
PubChem CID155329282
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine
SMILESCC/C(=C\CN)C(NC)N(C)C
InChIInChI=1S/C9H21N3/c1-5-8(6-7-10)9(11-2)12(3)4/h6,9,11H,5,7,10H2,1-4H3/b8-6+
InChIKeyLXWGNHXUWNSAEN-SOFGYWHQSA-N
XLogP0.39
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine?
The IUPAC name of (E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine (CID 155329282) is (E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine.
What is the SMILES notation for (E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine?
The canonical SMILES for (E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine is CC/C(=C\CN)C(NC)N(C)C.
What is the InChIKey of (E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine?
The InChIKey is LXWGNHXUWNSAEN-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H21N3/c1-5-8(6-7-10)9(11-2)12(3)4/h6,9,11H,5,7,10H2,1-4H3/b8-6+.
What are the key properties of (E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine?
(E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine has a molecular weight of 171.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-1-N,1-N',1-N'-trimethylbut-2-ene-1,1,4-triamine is sourced from PubChem (CID 155329282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).