N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride

C7H17ClN2O2 — CID 119030498

IUPACN-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride
SMILESCC(=O)N(O)CCCCCN.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-7(10)9(11)6-4-2-3-5-8;/h11H,2-6,8H2,1H3;1H
InChIKeyQLQFDNBBJLUNPY-UHFFFAOYSA-N
MW196.68 g/mol
LogP0.77
Rot. Bonds5

About N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride

N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride (PubChem CID 119030498) has the molecular formula C7H17ClN2O2 and a molecular weight of 196.68 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride
PubChem CID119030498
Molecular FormulaC7H17ClN2O2
Molecular Weight196.68 g/mol
Exact Mass196.10
IUPAC NameN-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride
SMILESCC(=O)N(O)CCCCCN.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-7(10)9(11)6-4-2-3-5-8;/h11H,2-6,8H2,1H3;1H
InChIKeyQLQFDNBBJLUNPY-UHFFFAOYSA-N
XLogP0.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride?
The IUPAC name of N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride (CID 119030498) is N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride.
What is the SMILES notation for N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride?
The canonical SMILES for N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride is CC(=O)N(O)CCCCCN.Cl.
What is the InChIKey of N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride?
The InChIKey is QLQFDNBBJLUNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.ClH/c1-7(10)9(11)6-4-2-3-5-8;/h11H,2-6,8H2,1H3;1H.
What are the key properties of N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride?
N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride has a molecular weight of 196.68 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N-hydroxyacetamide;hydrochloride is sourced from PubChem (CID 119030498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).