tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate

C13H26N2O2 — CID 134462413

IUPACtert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
SMILESCC(C)(C)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)15-10-7-9(8-10)14-11(16)17-13(4,5)6/h9-10,15H,7-8H2,1-6H3,(H,14,16)
InChIKeyPZRIDGMRUATIIB-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.43
Rot. Bonds2

About tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate

tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate (PubChem CID 134462413) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
PubChem CID134462413
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
SMILESCC(C)(C)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)15-10-7-9(8-10)14-11(16)17-13(4,5)6/h9-10,15H,7-8H2,1-6H3,(H,14,16)
InChIKeyPZRIDGMRUATIIB-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
ditert-butyl 5-(tert-butylamino)cyclohexane-1,3-dicarboxylate
CID 171748856
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
CID 80560825
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
CID 82706407
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate
CID 163950000
trimethyl-[2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]-2-oxoethyl]azanium iodide
CID 162384823

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate (CID 134462413) is tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate is CC(C)(C)NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate?
The InChIKey is PZRIDGMRUATIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)15-10-7-9(8-10)14-11(16)17-13(4,5)6/h9-10,15H,7-8H2,1-6H3,(H,14,16).
What are the key properties of tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate is sourced from PubChem (CID 134462413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).