azane;1-chlorohexadecane;hydrate

C16H38ClNO — CID 174801150

IUPACazane;1-chlorohexadecane;hydrate
SMILESCCCCCCCCCCCCCCCCCl.N.O
InChIInChI=1S/C16H33Cl.H3N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;;/h2-16H2,1H3;1H3;1H2
InChIKeyZOIHGRXTJGMMPP-UHFFFAOYSA-N
MW295.94 g/mol
LogP6.04
Rot. Bonds14

About azane;1-chlorohexadecane;hydrate

azane;1-chlorohexadecane;hydrate (PubChem CID 174801150) has the molecular formula C16H38ClNO and a molecular weight of 295.94 g/mol. Its IUPAC name is azane;1-chlorohexadecane;hydrate.

Molecular Properties

Compound Nameazane;1-chlorohexadecane;hydrate
PubChem CID174801150
Molecular FormulaC16H38ClNO
Molecular Weight295.94 g/mol
Exact Mass295.26
IUPAC Nameazane;1-chlorohexadecane;hydrate
SMILESCCCCCCCCCCCCCCCCCl.N.O
InChIInChI=1S/C16H33Cl.H3N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;;/h2-16H2,1H3;1H3;1H2
InChIKeyZOIHGRXTJGMMPP-UHFFFAOYSA-N
XLogP6.04
TPSA66.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.94
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;1-chlorohexadecane;hydrate?
The IUPAC name of azane;1-chlorohexadecane;hydrate (CID 174801150) is azane;1-chlorohexadecane;hydrate.
What is the SMILES notation for azane;1-chlorohexadecane;hydrate?
The canonical SMILES for azane;1-chlorohexadecane;hydrate is CCCCCCCCCCCCCCCCCl.N.O.
What is the InChIKey of azane;1-chlorohexadecane;hydrate?
The InChIKey is ZOIHGRXTJGMMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33Cl.H3N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;;/h2-16H2,1H3;1H3;1H2.
What are the key properties of azane;1-chlorohexadecane;hydrate?
azane;1-chlorohexadecane;hydrate has a molecular weight of 295.94 g/mol, XLogP of 6.04, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-chlorohexadecane;hydrate is sourced from PubChem (CID 174801150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).