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

C16H30N2O2 — CID 80562300

IUPACtert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate
SMILESCC1CCC(NC2CC(NC(=O)OC(C)(C)C)C2)C1C
InChIInChI=1S/C16H30N2O2/c1-10-6-7-14(11(10)2)17-12-8-13(9-12)18-15(19)20-16(3,4)5/h10-14,17H,6-9H2,1-5H3,(H,18,19)
InChIKeyZSFVAUSVJUKPCM-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.07
Rot. Bonds3

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

tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate (PubChem CID 80562300) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate
PubChem CID80562300
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate
SMILESCC1CCC(NC2CC(NC(=O)OC(C)(C)C)C2)C1C
InChIInChI=1S/C16H30N2O2/c1-10-6-7-14(11(10)2)17-12-8-13(9-12)18-15(19)20-16(3,4)5/h10-14,17H,6-9H2,1-5H3,(H,18,19)
InChIKeyZSFVAUSVJUKPCM-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate
CID 80560509
tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
CID 80559219
tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate
CID 103857635
tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate
CID 107239046
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
CID 103759512
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate
CID 79462086

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate (CID 80562300) is tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate is CC1CCC(NC2CC(NC(=O)OC(C)(C)C)C2)C1C.
What is the InChIKey of tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate?
The InChIKey is ZSFVAUSVJUKPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-10-6-7-14(11(10)2)17-12-8-13(9-12)18-15(19)20-16(3,4)5/h10-14,17H,6-9H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate has a molecular weight of 282.43 g/mol, XLogP of 3.07, 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-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 80562300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).