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

C17H31NO2 — CID 22978781

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate
SMILESCC1CCC(C(C)C)C(OC(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h12-16H,4-11H2,1-3H3,(H,18,19)
InChIKeyPDDIETGPTXAEPC-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.51
Rot. Bonds3

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

(5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate (PubChem CID 22978781) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate
PubChem CID22978781
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate
SMILESCC1CCC(C(C)C)C(OC(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h12-16H,4-11H2,1-3H3,(H,18,19)
InChIKeyPDDIETGPTXAEPC-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexylbutyl N-cyclohexylcarbamate
CID 22978793
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
CID 59044268
Cyclohexyl carbamate derivative 7
CID 46898982
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
CID 51682697
Carbonic acid, monoamide, N-ethyl-, menthyl ester
CID 10013977
Carbonic acid, monoamide, N-butyl-, menthyl ester
CID 10244099
Carbonic acid, monoamide, N-isobutyl-, menthyl ester
CID 10244100
Carbonic acid, monoamide, N-hexyl-, menthyl ester
CID 46893857
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate
CID 10967142
(5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate
CID 67760944
Carbonic acid, monoamide, N-propyl-, menthyl ester
CID 10444379
Carbonic acid, monoamide, N-pentyl-, menthyl ester
CID 21064464

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate (CID 22978781) is (5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate is CC1CCC(C(C)C)C(OC(=O)NC2CCCCC2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate?
The InChIKey is PDDIETGPTXAEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h12-16H,4-11H2,1-3H3,(H,18,19).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-cyclohexylcarbamate has a molecular weight of 281.44 g/mol, XLogP of 4.51, 3 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-cyclohexylcarbamate is sourced from PubChem (CID 22978781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).