hexanimidamide;hydrochloride

C6H15ClN2 — CID 21420651

IUPAChexanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CCCCC
InChIInChI=1S/C6H14N2.ClH/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H3,7,8);1H
InChIKeyIQYXAKDFVUKMLW-UHFFFAOYSA-N
MW150.65 g/mol
LogP1.92
Rot. Bonds4

About hexanimidamide;hydrochloride

hexanimidamide;hydrochloride (PubChem CID 21420651) has the molecular formula C6H15ClN2 and a molecular weight of 150.65 g/mol. Its IUPAC name is hexanimidamide;hydrochloride.

Molecular Properties

Compound Namehexanimidamide;hydrochloride
PubChem CID21420651
Molecular FormulaC6H15ClN2
Molecular Weight150.65 g/mol
Exact Mass150.09
IUPAC Namehexanimidamide;hydrochloride
SMILESCl.[H]/N=C(/N)CCCCC
InChIInChI=1S/C6H14N2.ClH/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H3,7,8);1H
InChIKeyIQYXAKDFVUKMLW-UHFFFAOYSA-N
XLogP1.92
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexanimidamide;hydrochloride?
The IUPAC name of hexanimidamide;hydrochloride (CID 21420651) is hexanimidamide;hydrochloride.
What is the SMILES notation for hexanimidamide;hydrochloride?
The canonical SMILES for hexanimidamide;hydrochloride is Cl.[H]/N=C(/N)CCCCC.
What is the InChIKey of hexanimidamide;hydrochloride?
The InChIKey is IQYXAKDFVUKMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.ClH/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H3,7,8);1H.
What are the key properties of hexanimidamide;hydrochloride?
hexanimidamide;hydrochloride has a molecular weight of 150.65 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexanimidamide;hydrochloride is sourced from PubChem (CID 21420651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).