(5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate

C17H33NO2 — CID 46893857

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate
SMILESCCCCCCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C17H33NO2/c1-5-6-7-8-11-18-17(19)20-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,18,19)
InChIKeyYGEAFHAMAJEXBE-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.75
Rot. Bonds7

About (5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate

(5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate (PubChem CID 46893857) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate
PubChem CID46893857
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate
SMILESCCCCCCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C17H33NO2/c1-5-6-7-8-11-18-17(19)20-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,18,19)
InChIKeyYGEAFHAMAJEXBE-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.75
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 (5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate (CID 46893857) is (5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate is CCCCCCNC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate?
The InChIKey is YGEAFHAMAJEXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-6-7-8-11-18-17(19)20-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,18,19).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate has a molecular weight of 283.46 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) N-hexylcarbamate is sourced from PubChem (CID 46893857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).