(1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine

C8H17N3 — CID 134406316

IUPAC(1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine
SMILESCCN(C)/C(N)=C/C=C(/C)N
InChIInChI=1S/C8H17N3/c1-4-11(3)8(10)6-5-7(2)9/h5-6H,4,9-10H2,1-3H3/b7-5-,8-6+
InChIKeyGDMGPJJFZOFRLW-CGXWXWIYSA-N
MW155.24 g/mol
LogP0.60
Rot. Bonds3

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

(1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine (PubChem CID 134406316) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine
PubChem CID134406316
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine
SMILESCCN(C)/C(N)=C/C=C(/C)N
InChIInChI=1S/C8H17N3/c1-4-11(3)8(10)6-5-7(2)9/h5-6H,4,9-10H2,1-3H3/b7-5-,8-6+
InChIKeyGDMGPJJFZOFRLW-CGXWXWIYSA-N
XLogP0.60
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'-methylpenta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine (CID 134406316) is (1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine is CCN(C)/C(N)=C/C=C(/C)N.
What is the InChIKey of (1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
The InChIKey is GDMGPJJFZOFRLW-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-11(3)8(10)6-5-7(2)9/h5-6H,4,9-10H2,1-3H3/b7-5-,8-6+.
What are the key properties of (1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine has a molecular weight of 155.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-ethyl-1-N'-methylpenta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 134406316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).