tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate

C13H26N2O2 — CID 71755462

IUPACtert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-11(2,3)17-10(16)15-9-12(4,5)8(14)13(9,6)7/h8-9H,14H2,1-7H3,(H,15,16)
InChIKeyJVWUWZXDMXHJTA-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.27
Rot. Bonds1

About tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate

tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate (PubChem CID 71755462) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate
PubChem CID71755462
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-11(2,3)17-10(16)15-9-12(4,5)8(14)13(9,6)7/h8-9H,14H2,1-7H3,(H,15,16)
InChIKeyJVWUWZXDMXHJTA-UHFFFAOYSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
CID 146082168
trans-(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 15819068
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-(2,2-dimethyl-1,3-dioxan-5-yl)carbamate
CID 68605714
tert-butyl N-[(1R,5S)-5-hydroxy-3,3-dimethylcyclohexyl]carbamate
CID 90020389
tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate
CID 157038702

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate (CID 71755462) is tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate is CC(C)(C)OC(=O)NC1C(C)(C)C(N)C1(C)C.
What is the InChIKey of tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate?
The InChIKey is JVWUWZXDMXHJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2,3)17-10(16)15-9-12(4,5)8(14)13(9,6)7/h8-9H,14H2,1-7H3,(H,15,16).
What are the key properties of tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate?
tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2,2,4,4-tetramethylcyclobutyl)carbamate is sourced from PubChem (CID 71755462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).