tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate

C13H25NO3 — CID 90063142

IUPACtert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate
SMILESCOC1(C)CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-11(15)14-10-7-6-8-13(4,9-10)16-5/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyVIEJKGOBSYUSDN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.86
Rot. Bonds2

About tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate

tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate (PubChem CID 90063142) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate
PubChem CID90063142
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate
SMILESCOC1(C)CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-11(15)14-10-7-6-8-13(4,9-10)16-5/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyVIEJKGOBSYUSDN-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-aminospiro[3.5]nonan-8-yl)carbamate;hydrochloride
CID 155894270
tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
CID 142054635
tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
CID 67108890
tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate
CID 97299724
tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate
CID 91018778
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-[4-[(2,2-dimethylcyclopentyl)amino]cyclohexyl]carbamate
CID 103738428
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
CID 155895653
tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate
CID 170896883

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate (CID 90063142) is tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate is COC1(C)CCCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate?
The InChIKey is VIEJKGOBSYUSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,3)17-11(15)14-10-7-6-8-13(4,9-10)16-5/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate?
tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate is sourced from PubChem (CID 90063142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).