(1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine

C11H24N4 — CID 134406107

IUPAC(1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine
SMILESCCNCCN(CC)/C(N)=C/C=C(/C)N
InChIInChI=1S/C11H24N4/c1-4-14-8-9-15(5-2)11(13)7-6-10(3)12/h6-7,14H,4-5,8-9,12-13H2,1-3H3/b10-6-,11-7+
InChIKeyNQPCHVGRTBIBNT-NAKBGQTNSA-N
MW212.34 g/mol
LogP0.58
Rot. Bonds7

About (1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine

(1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine (PubChem CID 134406107) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is (1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine
PubChem CID134406107
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name(1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine
SMILESCCNCCN(CC)/C(N)=C/C=C(/C)N
InChIInChI=1S/C11H24N4/c1-4-14-8-9-15(5-2)11(13)7-6-10(3)12/h6-7,14H,4-5,8-9,12-13H2,1-3H3/b10-6-,11-7+
InChIKeyNQPCHVGRTBIBNT-NAKBGQTNSA-N
XLogP0.58
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine (CID 134406107) is (1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine is CCNCCN(CC)/C(N)=C/C=C(/C)N.
What is the InChIKey of (1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine?
The InChIKey is NQPCHVGRTBIBNT-NAKBGQTNSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-14-8-9-15(5-2)11(13)7-6-10(3)12/h6-7,14H,4-5,8-9,12-13H2,1-3H3/b10-6-,11-7+.
What are the key properties of (1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine has a molecular weight of 212.34 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 134406107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).