tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate

C16H30N2O2 — CID 80559219

IUPACtert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
SMILESCC1CCCCC1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-11-7-5-6-8-14(11)17-12-9-13(10-12)18-15(19)20-16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyLVXCWZHOTDEVIA-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.21
Rot. Bonds3

About tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate

tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate (PubChem CID 80559219) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
PubChem CID80559219
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
SMILESCC1CCCCC1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-11-7-5-6-8-14(11)17-12-9-13(10-12)18-15(19)20-16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyLVXCWZHOTDEVIA-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate
CID 103857635
tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate
CID 80562300
tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate
CID 79462086
tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate
CID 107239046
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate
CID 80560509
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate
CID 80562358
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate (CID 80559219) is tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate is CC1CCCCC1NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate?
The InChIKey is LVXCWZHOTDEVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11-7-5-6-8-14(11)17-12-9-13(10-12)18-15(19)20-16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate has a molecular weight of 282.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 80559219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).