tert-butyl N-(oxan-3-ylmethyl)carbamate

C11H21NO3 — CID 63788882

IUPACtert-butyl N-(oxan-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCOC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(13)12-7-9-5-4-6-14-8-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyMHGQXZGZHXIOHZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.94
Rot. Bonds2

About tert-butyl N-(oxan-3-ylmethyl)carbamate

tert-butyl N-(oxan-3-ylmethyl)carbamate (PubChem CID 63788882) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(oxan-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(oxan-3-ylmethyl)carbamate
PubChem CID63788882
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(oxan-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCOC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(13)12-7-9-5-4-6-14-8-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyMHGQXZGZHXIOHZ-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(oxan-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695439
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[2-(oxan-3-ylmethylcarbamoyl)furan-3-yl]carbamate
CID 122151959
tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate
CID 83920436
tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate
CID 103921902
2,2-dimethyl-3-(oxan-3-ylmethylamino)-3-oxopropanoic acid
CID 82821482
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-3-yl)propanoate
CID 169233574

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(oxan-3-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(oxan-3-ylmethyl)carbamate (CID 63788882) is tert-butyl N-(oxan-3-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(oxan-3-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(oxan-3-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CCCOC1.
What is the InChIKey of tert-butyl N-(oxan-3-ylmethyl)carbamate?
The InChIKey is MHGQXZGZHXIOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(13)12-7-9-5-4-6-14-8-9/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(oxan-3-ylmethyl)carbamate?
tert-butyl N-(oxan-3-ylmethyl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(oxan-3-ylmethyl)carbamate is sourced from PubChem (CID 63788882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).