tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate

C11H22N2O2 — CID 105468024

IUPACtert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
SMILESCC1(CNC(=O)OC(C)(C)C)CC(N)C1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-11(4)5-8(12)6-11/h8H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyYUBNELUZYAICNI-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.64
Rot. Bonds2

About tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate

tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate (PubChem CID 105468024) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
PubChem CID105468024
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
SMILESCC1(CNC(=O)OC(C)(C)C)CC(N)C1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-11(4)5-8(12)6-11/h8H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyYUBNELUZYAICNI-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
CID 121388239
tert-butyl N-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methyl]carbamate
CID 167737736
tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate
CID 130067864
tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate
CID 117274696
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(3aR,6aS)-2-benzyl-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]methyl]carbamate
CID 138455618
tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen
CID 178159968
tert-butyl N-[[(3aR,6aS)-5-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]carbamate
CID 138455617
tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate
CID 139022576
tert-butyl N-[3-(3,3-dimethylcyclobutyl)-2-oxopropyl]carbamate
CID 165470962
5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]tricyclo[3.3.0.03,7]octane-1-carboxylic acid
CID 178200775
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate (CID 105468024) is tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate is CC1(CNC(=O)OC(C)(C)C)CC(N)C1.
What is the InChIKey of tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate?
The InChIKey is YUBNELUZYAICNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-11(4)5-8(12)6-11/h8H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate?
tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.64, 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-amino-1-methylcyclobutyl)methyl]carbamate is sourced from PubChem (CID 105468024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).