tert-butyl carbamate;methylcyclohexane

C12H25NO2 — CID 143641656

IUPACtert-butyl carbamate;methylcyclohexane
SMILESCC(C)(C)OC(N)=O.CC1CCCCC1
InChIInChI=1S/C7H14.C5H11NO2/c1-7-5-3-2-4-6-7;1-5(2,3)8-4(6)7/h7H,2-6H2,1H3;1-3H3,(H2,6,7)
InChIKeyAQOLRGNZQXNSSU-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.47
Rot. Bonds

About tert-butyl carbamate;methylcyclohexane

tert-butyl carbamate;methylcyclohexane (PubChem CID 143641656) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl carbamate;methylcyclohexane.

Molecular Properties

Compound Nametert-butyl carbamate;methylcyclohexane
PubChem CID143641656
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl carbamate;methylcyclohexane
SMILESCC(C)(C)OC(N)=O.CC1CCCCC1
InChIInChI=1S/C7H14.C5H11NO2/c1-7-5-3-2-4-6-7;1-5(2,3)8-4(6)7/h7H,2-6H2,1H3;1-3H3,(H2,6,7)
InChIKeyAQOLRGNZQXNSSU-UHFFFAOYSA-N
XLogP3.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl carbamate;cyclobutanol
CID 143474652
tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane
CID 174620186
tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane
CID 142366639
tert-butyl carbamate;cyclopropyne
CID 174661984
tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid
CID 22106849
tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol
CID 22106791
tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol
CID 22106764
tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid
CID 22616826
tert-butyl carbamate;molecular nitrogen
CID 176888665
tert-butyl carbamate;ethane;piperidine
CID 143654925
tert-butyl carbamate;iodomethylcyclobutane
CID 174767644
1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride
CID 174531198

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;methylcyclohexane?
The IUPAC name of tert-butyl carbamate;methylcyclohexane (CID 143641656) is tert-butyl carbamate;methylcyclohexane.
What is the SMILES notation for tert-butyl carbamate;methylcyclohexane?
The canonical SMILES for tert-butyl carbamate;methylcyclohexane is CC(C)(C)OC(N)=O.CC1CCCCC1.
What is the InChIKey of tert-butyl carbamate;methylcyclohexane?
The InChIKey is AQOLRGNZQXNSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C5H11NO2/c1-7-5-3-2-4-6-7;1-5(2,3)8-4(6)7/h7H,2-6H2,1H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;methylcyclohexane?
tert-butyl carbamate;methylcyclohexane has a molecular weight of 215.34 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;methylcyclohexane is sourced from PubChem (CID 143641656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).