cyclohexyl N-propan-2-ylcarbamate

C10H19NO2 — CID 20500806

IUPACcyclohexyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CCCCC1
InChIInChI=1S/C10H19NO2/c1-8(2)11-10(12)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyHJDKDBZBAJJYTJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.45
Rot. Bonds2

About cyclohexyl N-propan-2-ylcarbamate

cyclohexyl N-propan-2-ylcarbamate (PubChem CID 20500806) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is cyclohexyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Namecyclohexyl N-propan-2-ylcarbamate
PubChem CID20500806
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namecyclohexyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CCCCC1
InChIInChI=1S/C10H19NO2/c1-8(2)11-10(12)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyHJDKDBZBAJJYTJ-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-propan-2-ylcarbamate?
The IUPAC name of cyclohexyl N-propan-2-ylcarbamate (CID 20500806) is cyclohexyl N-propan-2-ylcarbamate.
What is the SMILES notation for cyclohexyl N-propan-2-ylcarbamate?
The canonical SMILES for cyclohexyl N-propan-2-ylcarbamate is CC(C)NC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-propan-2-ylcarbamate?
The InChIKey is HJDKDBZBAJJYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)11-10(12)13-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of cyclohexyl N-propan-2-ylcarbamate?
cyclohexyl N-propan-2-ylcarbamate has a molecular weight of 185.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-propan-2-ylcarbamate is sourced from PubChem (CID 20500806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).