hexyl N-pentylcarbamate

C12H25NO2 — CID 21064556

IUPAChexyl N-pentylcarbamate
SMILESCCCCCCOC(=O)NCCCCC
InChIInChI=1S/C12H25NO2/c1-3-5-7-9-11-15-12(14)13-10-8-6-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyCZLHCEAOHHIWCA-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.48
Rot. Bonds9

About hexyl N-pentylcarbamate

hexyl N-pentylcarbamate (PubChem CID 21064556) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is hexyl N-pentylcarbamate.

Molecular Properties

Compound Namehexyl N-pentylcarbamate
PubChem CID21064556
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namehexyl N-pentylcarbamate
SMILESCCCCCCOC(=O)NCCCCC
InChIInChI=1S/C12H25NO2/c1-3-5-7-9-11-15-12(14)13-10-8-6-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyCZLHCEAOHHIWCA-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexyl N-pentylcarbamate?
The IUPAC name of hexyl N-pentylcarbamate (CID 21064556) is hexyl N-pentylcarbamate.
What is the SMILES notation for hexyl N-pentylcarbamate?
The canonical SMILES for hexyl N-pentylcarbamate is CCCCCCOC(=O)NCCCCC.
What is the InChIKey of hexyl N-pentylcarbamate?
The InChIKey is CZLHCEAOHHIWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-7-9-11-15-12(14)13-10-8-6-4-2/h3-11H2,1-2H3,(H,13,14).
What are the key properties of hexyl N-pentylcarbamate?
hexyl N-pentylcarbamate has a molecular weight of 215.34 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-pentylcarbamate is sourced from PubChem (CID 21064556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).