hexane-1,6-diimine;hydrochloride

C6H13ClN2 — CID 175422205

IUPAChexane-1,6-diimine;hydrochloride
SMILESCl.[H]/N=C/CCCC/C=N/[H]
InChIInChI=1S/C6H12N2.ClH/c7-5-3-1-2-4-6-8;/h5-8H,1-4H2;1H/b7-5+,8-6+;
InChIKeyWTWVHSOHOPBKED-PUFOULASSA-N
MW148.64 g/mol
LogP2.27
Rot. Bonds5

About hexane-1,6-diimine;hydrochloride

hexane-1,6-diimine;hydrochloride (PubChem CID 175422205) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is hexane-1,6-diimine;hydrochloride.

Molecular Properties

Compound Namehexane-1,6-diimine;hydrochloride
PubChem CID175422205
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Namehexane-1,6-diimine;hydrochloride
SMILESCl.[H]/N=C/CCCC/C=N/[H]
InChIInChI=1S/C6H12N2.ClH/c7-5-3-1-2-4-6-8;/h5-8H,1-4H2;1H/b7-5+,8-6+;
InChIKeyWTWVHSOHOPBKED-PUFOULASSA-N
XLogP2.27
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexane-1,6-diimine;hydrochloride?
The IUPAC name of hexane-1,6-diimine;hydrochloride (CID 175422205) is hexane-1,6-diimine;hydrochloride.
What is the SMILES notation for hexane-1,6-diimine;hydrochloride?
The canonical SMILES for hexane-1,6-diimine;hydrochloride is Cl.[H]/N=C/CCCC/C=N/[H].
What is the InChIKey of hexane-1,6-diimine;hydrochloride?
The InChIKey is WTWVHSOHOPBKED-PUFOULASSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c7-5-3-1-2-4-6-8;/h5-8H,1-4H2;1H/b7-5+,8-6+;.
What are the key properties of hexane-1,6-diimine;hydrochloride?
hexane-1,6-diimine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,6-diimine;hydrochloride is sourced from PubChem (CID 175422205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).