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

C12H23NO2 — CID 10081936

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate
SMILESCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C12H23NO2/c1-8(2)10-6-5-9(3)7-11(10)15-12(14)13-4/h8-11H,5-7H2,1-4H3,(H,13,14)
InChIKeyMFECVIRCZJLBCY-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.80
Rot. Bonds2

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

(5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate (PubChem CID 10081936) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate
PubChem CID10081936
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate
SMILESCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C12H23NO2/c1-8(2)10-6-5-9(3)7-11(10)15-12(14)13-4/h8-11H,5-7H2,1-4H3,(H,13,14)
InChIKeyMFECVIRCZJLBCY-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate (CID 10081936) is (5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate is CNC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate?
The InChIKey is MFECVIRCZJLBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)10-6-5-9(3)7-11(10)15-12(14)13-4/h8-11H,5-7H2,1-4H3,(H,13,14).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-methylcarbamate has a molecular weight of 213.32 g/mol, XLogP of 2.80, 2 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-methylcarbamate is sourced from PubChem (CID 10081936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).