1,6-dichlorohex-3-ene-2,5-diamine

C6H12Cl2N2 — CID 175120445

IUPAC1,6-dichlorohex-3-ene-2,5-diamine
SMILESNC(C=CC(N)CCl)CCl
InChIInChI=1S/C6H12Cl2N2/c7-3-5(9)1-2-6(10)4-8/h1-2,5-6H,3-4,9-10H2
InChIKeyIGASXCILQNIEBM-UHFFFAOYSA-N
MW183.08 g/mol
LogP0.67
Rot. Bonds4

About 1,6-dichlorohex-3-ene-2,5-diamine

1,6-dichlorohex-3-ene-2,5-diamine (PubChem CID 175120445) has the molecular formula C6H12Cl2N2 and a molecular weight of 183.08 g/mol. Its IUPAC name is 1,6-dichlorohex-3-ene-2,5-diamine.

Molecular Properties

Compound Name1,6-dichlorohex-3-ene-2,5-diamine
PubChem CID175120445
Molecular FormulaC6H12Cl2N2
Molecular Weight183.08 g/mol
Exact Mass182.04
IUPAC Name1,6-dichlorohex-3-ene-2,5-diamine
SMILESNC(C=CC(N)CCl)CCl
InChIInChI=1S/C6H12Cl2N2/c7-3-5(9)1-2-6(10)4-8/h1-2,5-6H,3-4,9-10H2
InChIKeyIGASXCILQNIEBM-UHFFFAOYSA-N
XLogP0.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dichlorohex-3-ene-2,5-diamine?
The IUPAC name of 1,6-dichlorohex-3-ene-2,5-diamine (CID 175120445) is 1,6-dichlorohex-3-ene-2,5-diamine.
What is the SMILES notation for 1,6-dichlorohex-3-ene-2,5-diamine?
The canonical SMILES for 1,6-dichlorohex-3-ene-2,5-diamine is NC(C=CC(N)CCl)CCl.
What is the InChIKey of 1,6-dichlorohex-3-ene-2,5-diamine?
The InChIKey is IGASXCILQNIEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2N2/c7-3-5(9)1-2-6(10)4-8/h1-2,5-6H,3-4,9-10H2.
What are the key properties of 1,6-dichlorohex-3-ene-2,5-diamine?
1,6-dichlorohex-3-ene-2,5-diamine has a molecular weight of 183.08 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichlorohex-3-ene-2,5-diamine is sourced from PubChem (CID 175120445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).