methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate

C13H25NO2 — CID 168760317

IUPACmethyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-13(2,3)9-10-5-7-11(8-6-10)14-12(15)16-4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyMOFAZESCEKLSHH-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.34
Rot. Bonds2

About methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate

methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate (PubChem CID 168760317) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
PubChem CID168760317
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-13(2,3)9-10-5-7-11(8-6-10)14-12(15)16-4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyMOFAZESCEKLSHH-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[4-(hydroperoxymethyl)cyclohexyl]carbamate
CID 20642197
methyl N-(4-tert-butylcyclohexyl)carbamate
CID 58394494
methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 54392444
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
CID 168761202
methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
methyl N-cyclohexadecylcarbamate
CID 131977131
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
CID 67267082
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]ethanesulfonic acid
CID 91444664
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate (CID 168760317) is methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate is COC(=O)NC1CCC(CC(C)(C)C)CC1.
What is the InChIKey of methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate?
The InChIKey is MOFAZESCEKLSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,3)9-10-5-7-11(8-6-10)14-12(15)16-4/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate?
methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate has a molecular weight of 227.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate is sourced from PubChem (CID 168760317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).