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

C17H32N2O2 — CID 80560509

IUPACtert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate
SMILESCCC1CCC(NC2CC(NC(=O)OC(C)(C)C)C2)C1C
InChIInChI=1S/C17H32N2O2/c1-6-12-7-8-15(11(12)2)18-13-9-14(10-13)19-16(20)21-17(3,4)5/h11-15,18H,6-10H2,1-5H3,(H,19,20)
InChIKeyONZLJFKHJZWDHN-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.46
Rot. Bonds4

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

tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate (PubChem CID 80560509) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate
PubChem CID80560509
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate
SMILESCCC1CCC(NC2CC(NC(=O)OC(C)(C)C)C2)C1C
InChIInChI=1S/C17H32N2O2/c1-6-12-7-8-15(11(12)2)18-13-9-14(10-13)19-16(20)21-17(3,4)5/h11-15,18H,6-10H2,1-5H3,(H,19,20)
InChIKeyONZLJFKHJZWDHN-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate
CID 80562300
tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
CID 80559219
tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid
CID 174621376
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
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-(2-ethylcyclopentyl)carbamate
CID 131075497
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-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate
CID 107417431
tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate
CID 107239129

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate (CID 80560509) is tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate is CCC1CCC(NC2CC(NC(=O)OC(C)(C)C)C2)C1C.
What is the InChIKey of tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate?
The InChIKey is ONZLJFKHJZWDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-12-7-8-15(11(12)2)18-13-9-14(10-13)19-16(20)21-17(3,4)5/h11-15,18H,6-10H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.46, 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-[(3-ethyl-2-methylcyclopentyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 80560509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).