tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate

C16H30N2O3 — CID 79462192

IUPACtert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NC2CCOCC2)C1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-14-6-4-5-13(11-14)17-12-7-9-20-10-8-12/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyOAALZALLFQUJDL-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate

tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate (PubChem CID 79462192) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
PubChem CID79462192
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NC2CCOCC2)C1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-14-6-4-5-13(11-14)17-12-7-9-20-10-8-12/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyOAALZALLFQUJDL-UHFFFAOYSA-N
XLogP2.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3,3-dimethyl-5-(oxan-4-ylamino)cyclohexyl]carbamate
CID 167781892
tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate
CID 80562358
tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
CID 67358949
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719789
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate (CID 79462192) is tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC(NC2CCOCC2)C1.
What is the InChIKey of tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate?
The InChIKey is OAALZALLFQUJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-14-6-4-5-13(11-14)17-12-7-9-20-10-8-12/h12-14,17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate?
tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.59, 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-4-ylamino)cyclohexyl]carbamate is sourced from PubChem (CID 79462192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).