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

C10H22N4 — CID 134406146

IUPAC(1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine
SMILESCCNCCN(C)/C(N)=C/C=C(/C)N
InChIInChI=1S/C10H22N4/c1-4-13-7-8-14(3)10(12)6-5-9(2)11/h5-6,13H,4,7-8,11-12H2,1-3H3/b9-5-,10-6+
InChIKeyYEAQGDACXYSFHE-VTBWALSUSA-N
MW198.31 g/mol
LogP0.19
Rot. Bonds6

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

(1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine (PubChem CID 134406146) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is (1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine
PubChem CID134406146
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name(1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine
SMILESCCNCCN(C)/C(N)=C/C=C(/C)N
InChIInChI=1S/C10H22N4/c1-4-13-7-8-14(3)10(12)6-5-9(2)11/h5-6,13H,4,7-8,11-12H2,1-3H3/b9-5-,10-6+
InChIKeyYEAQGDACXYSFHE-VTBWALSUSA-N
XLogP0.19
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.19
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'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine (CID 134406146) is (1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine is CCNCCN(C)/C(N)=C/C=C(/C)N.
What is the InChIKey of (1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
The InChIKey is YEAQGDACXYSFHE-VTBWALSUSA-N. The full InChI is InChI=1S/C10H22N4/c1-4-13-7-8-14(3)10(12)6-5-9(2)11/h5-6,13H,4,7-8,11-12H2,1-3H3/b9-5-,10-6+.
What are the key properties of (1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine has a molecular weight of 198.31 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 134406146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).