(1E,3E)-hexa-1,3-diene-1,6-diamine

C6H12N2 — CID 20555425

IUPAC(1E,3E)-hexa-1,3-diene-1,6-diamine
SMILESN/C=C/C=C/CCN
InChIInChI=1S/C6H12N2/c7-5-3-1-2-4-6-8/h1-3,5H,4,6-8H2/b2-1+,5-3+
InChIKeyXJKCCPCRYYKSIL-NRNIAZNESA-N
MW112.18 g/mol
LogP0.36
Rot. Bonds3

About (1E,3E)-hexa-1,3-diene-1,6-diamine

(1E,3E)-hexa-1,3-diene-1,6-diamine (PubChem CID 20555425) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1E,3E)-hexa-1,3-diene-1,6-diamine.

Molecular Properties

Compound Name(1E,3E)-hexa-1,3-diene-1,6-diamine
PubChem CID20555425
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1E,3E)-hexa-1,3-diene-1,6-diamine
SMILESN/C=C/C=C/CCN
InChIInChI=1S/C6H12N2/c7-5-3-1-2-4-6-8/h1-3,5H,4,6-8H2/b2-1+,5-3+
InChIKeyXJKCCPCRYYKSIL-NRNIAZNESA-N
XLogP0.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 (1E,3E)-hexa-1,3-diene-1,6-diamine?
The IUPAC name of (1E,3E)-hexa-1,3-diene-1,6-diamine (CID 20555425) is (1E,3E)-hexa-1,3-diene-1,6-diamine.
What is the SMILES notation for (1E,3E)-hexa-1,3-diene-1,6-diamine?
The canonical SMILES for (1E,3E)-hexa-1,3-diene-1,6-diamine is N/C=C/C=C/CCN.
What is the InChIKey of (1E,3E)-hexa-1,3-diene-1,6-diamine?
The InChIKey is XJKCCPCRYYKSIL-NRNIAZNESA-N. The full InChI is InChI=1S/C6H12N2/c7-5-3-1-2-4-6-8/h1-3,5H,4,6-8H2/b2-1+,5-3+.
What are the key properties of (1E,3E)-hexa-1,3-diene-1,6-diamine?
(1E,3E)-hexa-1,3-diene-1,6-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-hexa-1,3-diene-1,6-diamine is sourced from PubChem (CID 20555425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).