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

C12H26N4 — CID 134406520

IUPAC(1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine
SMILESCCN(C)CCN(CC)/C(N)=C/C=C(/C)N
InChIInChI=1S/C12H26N4/c1-5-15(4)9-10-16(6-2)12(14)8-7-11(3)13/h7-8H,5-6,9-10,13-14H2,1-4H3/b11-7-,12-8+
InChIKeyCGWGTZISJSKLES-NTLHZVPKSA-N
MW226.37 g/mol
LogP0.92
Rot. Bonds7

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

(1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine (PubChem CID 134406520) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is (1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine
PubChem CID134406520
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name(1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine
SMILESCCN(C)CCN(CC)/C(N)=C/C=C(/C)N
InChIInChI=1S/C12H26N4/c1-5-15(4)9-10-16(6-2)12(14)8-7-11(3)13/h7-8H,5-6,9-10,13-14H2,1-4H3/b11-7-,12-8+
InChIKeyCGWGTZISJSKLES-NTLHZVPKSA-N
XLogP0.92
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,3Z)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406672
ethane;(1E,3Z)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145197864
(Z)-1-[3-[(Z)-2-aminobut-2-enyl]imidazolidin-1-yl]but-2-en-2-amine
CID 70503604
(2E,4E)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-2,4-diene-2,5-diamine
CID 132261636
(1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406066
(1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine
CID 134406107
(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine
CID 134406127
(1E,3Z)-1-N'-[2-(ethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine
CID 134406146
(1E,3Z)-1-N'-ethyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine
CID 134406222
(1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine
CID 134406237
(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine
CID 134406241
(1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine
CID 134406316

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine (CID 134406520) is (1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine is CCN(C)CCN(CC)/C(N)=C/C=C(/C)N.
What is the InChIKey of (1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine?
The InChIKey is CGWGTZISJSKLES-NTLHZVPKSA-N. The full InChI is InChI=1S/C12H26N4/c1-5-15(4)9-10-16(6-2)12(14)8-7-11(3)13/h7-8H,5-6,9-10,13-14H2,1-4H3/b11-7-,12-8+.
What are the key properties of (1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N'-ethyl-1-N'-[2-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine has a molecular weight of 226.37 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 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-[ethyl(methyl)amino]ethyl]penta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 134406520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).