cyclohexylmethyl N-propan-2-ylcarbamate

C11H21NO2 — CID 23548765

IUPACcyclohexylmethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCC1CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(2)12-11(13)14-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyMXVAVHYGACCURS-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.70
Rot. Bonds3

About cyclohexylmethyl N-propan-2-ylcarbamate

cyclohexylmethyl N-propan-2-ylcarbamate (PubChem CID 23548765) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is cyclohexylmethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-propan-2-ylcarbamate
PubChem CID23548765
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namecyclohexylmethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCC1CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(2)12-11(13)14-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyMXVAVHYGACCURS-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-propan-2-ylcarbamate?
The IUPAC name of cyclohexylmethyl N-propan-2-ylcarbamate (CID 23548765) is cyclohexylmethyl N-propan-2-ylcarbamate.
What is the SMILES notation for cyclohexylmethyl N-propan-2-ylcarbamate?
The canonical SMILES for cyclohexylmethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-propan-2-ylcarbamate?
The InChIKey is MXVAVHYGACCURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)12-11(13)14-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of cyclohexylmethyl N-propan-2-ylcarbamate?
cyclohexylmethyl N-propan-2-ylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 23548765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).