hexane-1,6-diamine;dihydrochloride

C6H18Cl2N2 — CID 2786615

IUPAChexane-1,6-diamine;dihydrochloride
SMILESCl.Cl.NCCCCCCN
InChIInChI=1S/C6H16N2.2ClH/c7-5-3-1-2-4-6-8;;/h1-8H2;2*1H
InChIKeyXMVQMBLTFKAIOX-UHFFFAOYSA-N
MW189.13 g/mol
LogP1.31
Rot. Bonds5

About hexane-1,6-diamine;dihydrochloride

hexane-1,6-diamine;dihydrochloride (PubChem CID 2786615) has the molecular formula C6H18Cl2N2 and a molecular weight of 189.13 g/mol. Its IUPAC name is hexane-1,6-diamine;dihydrochloride.

Molecular Properties

Compound Namehexane-1,6-diamine;dihydrochloride
PubChem CID2786615
Molecular FormulaC6H18Cl2N2
Molecular Weight189.13 g/mol
Exact Mass188.08
IUPAC Namehexane-1,6-diamine;dihydrochloride
SMILESCl.Cl.NCCCCCCN
InChIInChI=1S/C6H16N2.2ClH/c7-5-3-1-2-4-6-8;;/h1-8H2;2*1H
InChIKeyXMVQMBLTFKAIOX-UHFFFAOYSA-N
XLogP1.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexane-1,6-diamine;dihydrochloride?
The IUPAC name of hexane-1,6-diamine;dihydrochloride (CID 2786615) is hexane-1,6-diamine;dihydrochloride.
What is the SMILES notation for hexane-1,6-diamine;dihydrochloride?
The canonical SMILES for hexane-1,6-diamine;dihydrochloride is Cl.Cl.NCCCCCCN.
What is the InChIKey of hexane-1,6-diamine;dihydrochloride?
The InChIKey is XMVQMBLTFKAIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2ClH/c7-5-3-1-2-4-6-8;;/h1-8H2;2*1H.
What are the key properties of hexane-1,6-diamine;dihydrochloride?
hexane-1,6-diamine;dihydrochloride has a molecular weight of 189.13 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diamine;dihydrochloride is sourced from PubChem (CID 2786615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).