2-methylpropyl N-hexyl-N-methylcarbamate

C12H25NO2 — CID 59217952

IUPAC2-methylpropyl N-hexyl-N-methylcarbamate
SMILESCCCCCCN(C)C(=O)OCC(C)C
InChIInChI=1S/C12H25NO2/c1-5-6-7-8-9-13(4)12(14)15-10-11(2)3/h11H,5-10H2,1-4H3
InChIKeyNJERYNVSVBCFCD-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.29
Rot. Bonds7

About 2-methylpropyl N-hexyl-N-methylcarbamate

2-methylpropyl N-hexyl-N-methylcarbamate (PubChem CID 59217952) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methylpropyl N-hexyl-N-methylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-hexyl-N-methylcarbamate
PubChem CID59217952
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methylpropyl N-hexyl-N-methylcarbamate
SMILESCCCCCCN(C)C(=O)OCC(C)C
InChIInChI=1S/C12H25NO2/c1-5-6-7-8-9-13(4)12(14)15-10-11(2)3/h11H,5-10H2,1-4H3
InChIKeyNJERYNVSVBCFCD-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
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 2-methylpropyl N-hexyl-N-methylcarbamate?
The IUPAC name of 2-methylpropyl N-hexyl-N-methylcarbamate (CID 59217952) is 2-methylpropyl N-hexyl-N-methylcarbamate.
What is the SMILES notation for 2-methylpropyl N-hexyl-N-methylcarbamate?
The canonical SMILES for 2-methylpropyl N-hexyl-N-methylcarbamate is CCCCCCN(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-hexyl-N-methylcarbamate?
The InChIKey is NJERYNVSVBCFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-6-7-8-9-13(4)12(14)15-10-11(2)3/h11H,5-10H2,1-4H3.
What are the key properties of 2-methylpropyl N-hexyl-N-methylcarbamate?
2-methylpropyl N-hexyl-N-methylcarbamate has a molecular weight of 215.34 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-hexyl-N-methylcarbamate is sourced from PubChem (CID 59217952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).