aminoazanium;1-chlorohexadecane

C16H38ClN2+ — CID 20542976

IUPACaminoazanium;1-chlorohexadecane
SMILESCCCCCCCCCCCCCCCCCl.N[NH3+]
InChIInChI=1S/C16H33Cl.H4N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2/h2-16H2,1H3;1-2H2/p+1
InChIKeyFEUKDRJCNNARQU-UHFFFAOYSA-O
MW293.95 g/mol
LogP4.81
Rot. Bonds14

About aminoazanium;1-chlorohexadecane

aminoazanium;1-chlorohexadecane (PubChem CID 20542976) has the molecular formula C16H38ClN2+ and a molecular weight of 293.95 g/mol. Its IUPAC name is aminoazanium;1-chlorohexadecane.

Molecular Properties

Compound Nameaminoazanium;1-chlorohexadecane
PubChem CID20542976
Molecular FormulaC16H38ClN2+
Molecular Weight293.95 g/mol
Exact Mass293.27
IUPAC Nameaminoazanium;1-chlorohexadecane
SMILESCCCCCCCCCCCCCCCCCl.N[NH3+]
InChIInChI=1S/C16H33Cl.H4N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2/h2-16H2,1H3;1-2H2/p+1
InChIKeyFEUKDRJCNNARQU-UHFFFAOYSA-O
XLogP4.81
TPSA53.66 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.95
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;pentadecane
CID 174295582
CID 87162953
CID 87162953
sodium;1-chlorododecane;chloride
CID 175001889
azane;1-chlorohexadecane;hydrate
CID 174801150
1-chloroicosane;phosphane;dihydrochloride
CID 173449794
sodium;carbanide;1-chlorododecane
CID 175514406
1-chloropentane;ethane
CID 175284520
1-chlorohexane;N,N-dimethylmethanamine
CID 174391589

Frequently Asked Questions

What is the IUPAC name of aminoazanium;1-chlorohexadecane?
The IUPAC name of aminoazanium;1-chlorohexadecane (CID 20542976) is aminoazanium;1-chlorohexadecane.
What is the SMILES notation for aminoazanium;1-chlorohexadecane?
The canonical SMILES for aminoazanium;1-chlorohexadecane is CCCCCCCCCCCCCCCCCl.N[NH3+].
What is the InChIKey of aminoazanium;1-chlorohexadecane?
The InChIKey is FEUKDRJCNNARQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H33Cl.H4N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2/h2-16H2,1H3;1-2H2/p+1.
What are the key properties of aminoazanium;1-chlorohexadecane?
aminoazanium;1-chlorohexadecane has a molecular weight of 293.95 g/mol, XLogP of 4.81, 14 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aminoazanium;1-chlorohexadecane is sourced from PubChem (CID 20542976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).