hexa-2,4-diene-1,5-diamine

C6H12N2 — CID 88683556

IUPAChexa-2,4-diene-1,5-diamine
SMILESCC(N)=CC=CCN
InChIInChI=1S/C6H12N2/c1-6(8)4-2-3-5-7/h2-4H,5,7-8H2,1H3
InChIKeyVMHARBLOCSNMJB-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.36
Rot. Bonds2

About hexa-2,4-diene-1,5-diamine

hexa-2,4-diene-1,5-diamine (PubChem CID 88683556) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is hexa-2,4-diene-1,5-diamine.

Molecular Properties

Compound Namehexa-2,4-diene-1,5-diamine
PubChem CID88683556
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Namehexa-2,4-diene-1,5-diamine
SMILESCC(N)=CC=CCN
InChIInChI=1S/C6H12N2/c1-6(8)4-2-3-5-7/h2-4H,5,7-8H2,1H3
InChIKeyVMHARBLOCSNMJB-UHFFFAOYSA-N
XLogP0.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexa-2,4-diene-1,5-diamine?
The IUPAC name of hexa-2,4-diene-1,5-diamine (CID 88683556) is hexa-2,4-diene-1,5-diamine.
What is the SMILES notation for hexa-2,4-diene-1,5-diamine?
The canonical SMILES for hexa-2,4-diene-1,5-diamine is CC(N)=CC=CCN.
What is the InChIKey of hexa-2,4-diene-1,5-diamine?
The InChIKey is VMHARBLOCSNMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(8)4-2-3-5-7/h2-4H,5,7-8H2,1H3.
What are the key properties of hexa-2,4-diene-1,5-diamine?
hexa-2,4-diene-1,5-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,4-diene-1,5-diamine is sourced from PubChem (CID 88683556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).