chloric acid;N-octyloctan-1-amine

C16H36ClNO3 — CID 86080528

IUPACchloric acid;N-octyloctan-1-amine
SMILESCCCCCCCCNCCCCCCCC.[O-][Cl+2]([O-])O
InChIInChI=1S/C16H35N.ClHO3/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2-1(3)4/h17H,3-16H2,1-2H3;2H
InChIKeyQNXOSXHENAFZNA-UHFFFAOYSA-N
MW325.92 g/mol
LogP2.36
Rot. Bonds14

About chloric acid;N-octyloctan-1-amine

chloric acid;N-octyloctan-1-amine (PubChem CID 86080528) has the molecular formula C16H36ClNO3 and a molecular weight of 325.92 g/mol. Its IUPAC name is chloric acid;N-octyloctan-1-amine.

Molecular Properties

Compound Namechloric acid;N-octyloctan-1-amine
PubChem CID86080528
Molecular FormulaC16H36ClNO3
Molecular Weight325.92 g/mol
Exact Mass325.24
IUPAC Namechloric acid;N-octyloctan-1-amine
SMILESCCCCCCCCNCCCCCCCC.[O-][Cl+2]([O-])O
InChIInChI=1S/C16H35N.ClHO3/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2-1(3)4/h17H,3-16H2,1-2H3;2H
InChIKeyQNXOSXHENAFZNA-UHFFFAOYSA-N
XLogP2.36
TPSA78.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.92
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;N-hexyldecan-1-amine;dihydroiodide
CID 173206397
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-hexylhexan-1-amine;hydrochloride
CID 519999

Frequently Asked Questions

What is the IUPAC name of chloric acid;N-octyloctan-1-amine?
The IUPAC name of chloric acid;N-octyloctan-1-amine (CID 86080528) is chloric acid;N-octyloctan-1-amine.
What is the SMILES notation for chloric acid;N-octyloctan-1-amine?
The canonical SMILES for chloric acid;N-octyloctan-1-amine is CCCCCCCCNCCCCCCCC.[O-][Cl+2]([O-])O.
What is the InChIKey of chloric acid;N-octyloctan-1-amine?
The InChIKey is QNXOSXHENAFZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.ClHO3/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2-1(3)4/h17H,3-16H2,1-2H3;2H.
What are the key properties of chloric acid;N-octyloctan-1-amine?
chloric acid;N-octyloctan-1-amine has a molecular weight of 325.92 g/mol, XLogP of 2.36, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloric acid;N-octyloctan-1-amine is sourced from PubChem (CID 86080528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).