penta-1,3-diene-1,1,2,3,4,5-hexamine

C5H14N6 — CID 175601260

IUPACpenta-1,3-diene-1,1,2,3,4,5-hexamine
SMILESNCC(N)=C(N)C(N)=C(N)N
InChIInChI=1S/C5H14N6/c6-1-2(7)3(8)4(9)5(10)11/h1,6-11H2
InChIKeyOVRGGONACSJEHH-UHFFFAOYSA-N
MW158.21 g/mol
LogP-2.88
Rot. Bonds2

About penta-1,3-diene-1,1,2,3,4,5-hexamine

penta-1,3-diene-1,1,2,3,4,5-hexamine (PubChem CID 175601260) has the molecular formula C5H14N6 and a molecular weight of 158.21 g/mol. Its IUPAC name is penta-1,3-diene-1,1,2,3,4,5-hexamine.

Molecular Properties

Compound Namepenta-1,3-diene-1,1,2,3,4,5-hexamine
PubChem CID175601260
Molecular FormulaC5H14N6
Molecular Weight158.21 g/mol
Exact Mass158.13
IUPAC Namepenta-1,3-diene-1,1,2,3,4,5-hexamine
SMILESNCC(N)=C(N)C(N)=C(N)N
InChIInChI=1S/C5H14N6/c6-1-2(7)3(8)4(9)5(10)11/h1,6-11H2
InChIKeyOVRGGONACSJEHH-UHFFFAOYSA-N
XLogP-2.88
TPSA156.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500158.21
LogP ≤ 5-2.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze penta-1,3-diene-1,1,2,3,4,5-hexamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of penta-1,3-diene-1,1,2,3,4,5-hexamine?
The IUPAC name of penta-1,3-diene-1,1,2,3,4,5-hexamine (CID 175601260) is penta-1,3-diene-1,1,2,3,4,5-hexamine.
What is the SMILES notation for penta-1,3-diene-1,1,2,3,4,5-hexamine?
The canonical SMILES for penta-1,3-diene-1,1,2,3,4,5-hexamine is NCC(N)=C(N)C(N)=C(N)N.
What is the InChIKey of penta-1,3-diene-1,1,2,3,4,5-hexamine?
The InChIKey is OVRGGONACSJEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6/c6-1-2(7)3(8)4(9)5(10)11/h1,6-11H2.
What are the key properties of penta-1,3-diene-1,1,2,3,4,5-hexamine?
penta-1,3-diene-1,1,2,3,4,5-hexamine has a molecular weight of 158.21 g/mol, XLogP of -2.88, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for penta-1,3-diene-1,1,2,3,4,5-hexamine is sourced from PubChem (CID 175601260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).