tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate

C12H24N2O3 — CID 135171048

IUPACtert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate
SMILESCCNC1COCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O3/c1-5-13-9-6-10(8-16-7-9)14-11(15)17-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyNFUYXPFZLDSZAQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.28
Rot. Bonds3

About tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate

tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate (PubChem CID 135171048) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate
PubChem CID135171048
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate
SMILESCCNC1COCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O3/c1-5-13-9-6-10(8-16-7-9)14-11(15)17-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyNFUYXPFZLDSZAQ-UHFFFAOYSA-N
XLogP1.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)carbamate
CID 69210205
tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate
CID 126970193
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate
CID 80562358
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[(2R,5R)-2-ethyl-3-oxabicyclo[4.1.0]heptan-5-yl]carbamate
CID 170391492
N-ethyloxetan-3-amine;oxalic acid
CID 118996693

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate (CID 135171048) is tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate is CCNC1COCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate?
The InChIKey is NFUYXPFZLDSZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-13-9-6-10(8-16-7-9)14-11(15)17-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate?
tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate is sourced from PubChem (CID 135171048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).