(2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine

C11H23N3 — CID 13081047

IUPAC(2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine
SMILESCN(C)/C=C/C=C/C(N(C)C)N(C)C
InChIInChI=1S/C11H23N3/c1-12(2)10-8-7-9-11(13(3)4)14(5)6/h7-11H,1-6H3/b9-7+,10-8+
InChIKeyPYLGDVVZCFDRAN-FIFLTTCUSA-N
MW197.33 g/mol
LogP1.07
Rot. Bonds5

About (2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine

(2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine (PubChem CID 13081047) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine.

Molecular Properties

Compound Name(2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine
PubChem CID13081047
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine
SMILESCN(C)/C=C/C=C/C(N(C)C)N(C)C
InChIInChI=1S/C11H23N3/c1-12(2)10-8-7-9-11(13(3)4)14(5)6/h7-11H,1-6H3/b9-7+,10-8+
InChIKeyPYLGDVVZCFDRAN-FIFLTTCUSA-N
XLogP1.07
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine?
The IUPAC name of (2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine (CID 13081047) is (2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine.
What is the SMILES notation for (2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine?
The canonical SMILES for (2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine is CN(C)/C=C/C=C/C(N(C)C)N(C)C.
What is the InChIKey of (2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine?
The InChIKey is PYLGDVVZCFDRAN-FIFLTTCUSA-N. The full InChI is InChI=1S/C11H23N3/c1-12(2)10-8-7-9-11(13(3)4)14(5)6/h7-11H,1-6H3/b9-7+,10-8+.
What are the key properties of (2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine?
(2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine has a molecular weight of 197.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-N,1-N,1-N',1-N',5-N,5-N-hexamethylpenta-2,4-diene-1,1,5-triamine is sourced from PubChem (CID 13081047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).