(E)-hex-3-ene-1,6-diamine

C6H14N2 — CID 19017964

IUPAC(E)-hex-3-ene-1,6-diamine
SMILESNCC/C=C/CCN
InChIInChI=1S/C6H14N2/c7-5-3-1-2-4-6-8/h1-2H,3-8H2/b2-1+
InChIKeyVKWVKRZCWUQLHV-OWOJBTEDSA-N
MW114.19 g/mol
LogP0.24
Rot. Bonds4

About (E)-hex-3-ene-1,6-diamine

(E)-hex-3-ene-1,6-diamine (PubChem CID 19017964) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-hex-3-ene-1,6-diamine.

Molecular Properties

Compound Name(E)-hex-3-ene-1,6-diamine
PubChem CID19017964
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(E)-hex-3-ene-1,6-diamine
SMILESNCC/C=C/CCN
InChIInChI=1S/C6H14N2/c7-5-3-1-2-4-6-8/h1-2H,3-8H2/b2-1+
InChIKeyVKWVKRZCWUQLHV-OWOJBTEDSA-N
XLogP0.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-hex-3-ene-1,6-diamine?
The IUPAC name of (E)-hex-3-ene-1,6-diamine (CID 19017964) is (E)-hex-3-ene-1,6-diamine.
What is the SMILES notation for (E)-hex-3-ene-1,6-diamine?
The canonical SMILES for (E)-hex-3-ene-1,6-diamine is NCC/C=C/CCN.
What is the InChIKey of (E)-hex-3-ene-1,6-diamine?
The InChIKey is VKWVKRZCWUQLHV-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H14N2/c7-5-3-1-2-4-6-8/h1-2H,3-8H2/b2-1+.
What are the key properties of (E)-hex-3-ene-1,6-diamine?
(E)-hex-3-ene-1,6-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-3-ene-1,6-diamine is sourced from PubChem (CID 19017964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).