tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate

C14H26N2O3 — CID 80562358

IUPACtert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NC2CCCOC2)C1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-12-7-11(8-12)15-10-5-4-6-18-9-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyXQMLVPYCQGELKZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.81
Rot. Bonds3

About tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate

tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate (PubChem CID 80562358) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate
PubChem CID80562358
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NC2CCCOC2)C1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-12-7-11(8-12)15-10-5-4-6-18-9-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyXQMLVPYCQGELKZ-UHFFFAOYSA-N
XLogP1.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
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tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
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tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
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tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate
CID 126804109
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
CID 103759512
tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
CID 80559219
tert-butyl N-[(1S)-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate
CID 98010403
tert-butyl N-[(1R)-1-[(3R)-oxan-3-yl]-2-oxoethyl]carbamate
CID 98010402

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate (CID 80562358) is tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NC2CCCOC2)C1.
What is the InChIKey of tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate?
The InChIKey is XQMLVPYCQGELKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-12-7-11(8-12)15-10-5-4-6-18-9-10/h10-12,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 80562358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).