tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate

C16H30N2O2 — CID 107417431

IUPACtert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate
SMILESCC1CCCC1CNC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-11-6-5-7-12(11)10-17-13-8-14(9-13)18-15(19)20-16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyQFSHAMGLXRDEDP-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.07
Rot. Bonds4

About tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate

tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate (PubChem CID 107417431) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate
PubChem CID107417431
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate
SMILESCC1CCCC1CNC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-11-6-5-7-12(11)10-17-13-8-14(9-13)18-15(19)20-16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyQFSHAMGLXRDEDP-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 103715573
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(3-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 106120887
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate
CID 80560787
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
CID 80559219
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl 3-[(2-methylcyclopentyl)methylamino]pyrrolidine-1-carboxylate
CID 107416977
tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate
CID 103759654
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate
CID 129446084

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate (CID 107417431) is tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate is CC1CCCC1CNC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate?
The InChIKey is QFSHAMGLXRDEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11-6-5-7-12(11)10-17-13-8-14(9-13)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-methylcyclopentyl)methylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate has a molecular weight of 282.43 g/mol, XLogP of 3.07, 4 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-methylcyclopentyl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107417431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).