tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate

C14H27NO3 — CID 22106811

IUPACtert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
SMILESCC(O)C1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27NO3/c1-10(16)12-7-5-11(6-8-12)9-15-13(17)18-14(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyYPUFIXLZIUIMSY-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.70
Rot. Bonds3

About tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate

tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate (PubChem CID 22106811) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
PubChem CID22106811
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
SMILESCC(O)C1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27NO3/c1-10(16)12-7-5-11(6-8-12)9-15-13(17)18-14(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyYPUFIXLZIUIMSY-UHFFFAOYSA-N
XLogP2.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
CID 20801241
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889
tert-butyl N-[2-[4-[(1S)-1-aminoethyl]cyclohexyl]ethyl]carbamate
CID 175690167
tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate
CID 121207022
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
CID 82379242
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903
tert-butyl N-[3-cyclopropyl-5-hydroxy-4-(hydroxymethyl)pentyl]carbamate
CID 166469427

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate (CID 22106811) is tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate is CC(O)C1CCC(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate?
The InChIKey is YPUFIXLZIUIMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-10(16)12-7-5-11(6-8-12)9-15-13(17)18-14(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate has a molecular weight of 257.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 22106811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).