tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate

C12H24N2O2 — CID 163598216

IUPACtert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate
SMILESCC[C@@]1(NC(=O)OC(C)(C)C)CCC1CN
InChIInChI=1S/C12H24N2O2/c1-5-12(7-6-9(12)8-13)14-10(15)16-11(2,3)4/h9H,5-8,13H2,1-4H3,(H,14,15)/t9?,12-/m1/s1
InChIKeyGVHXRIPVEHESSB-FFFFSGIJSA-N
MW228.34 g/mol
LogP2.03
Rot. Bonds3

About tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate

tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate (PubChem CID 163598216) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate
PubChem CID163598216
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate
SMILESCC[C@@]1(NC(=O)OC(C)(C)C)CCC1CN
InChIInChI=1S/C12H24N2O2/c1-5-12(7-6-9(12)8-13)14-10(15)16-11(2,3)4/h9H,5-8,13H2,1-4H3,(H,14,15)/t9?,12-/m1/s1
InChIKeyGVHXRIPVEHESSB-FFFFSGIJSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2R)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate
CID 99998766
tert-butyl N-[1-(aminomethyl)-2-ethylsulfonylcyclopropyl]carbamate
CID 102568944
[(3R)-2,2,3-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl methanesulfonate
CID 87402659
tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate
CID 118483818
tert-butyl N-[3-(iodomethyl)-1,2,2-trimethylcyclopentyl]carbamate
CID 130315352
tert-butyl N-[1-(bromomethyl)-3-methylcyclohexyl]carbamate
CID 114314705
tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
CID 115071653
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl N-[3-(aminomethyl)thiolan-3-yl]carbamate
CID 84795643
tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
CID 59044921
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)cyclobutane-1-carboxylate
CID 119054900

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate (CID 163598216) is tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate is CC[C@@]1(NC(=O)OC(C)(C)C)CCC1CN.
What is the InChIKey of tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate?
The InChIKey is GVHXRIPVEHESSB-FFFFSGIJSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-12(7-6-9(12)8-13)14-10(15)16-11(2,3)4/h9H,5-8,13H2,1-4H3,(H,14,15)/t9?,12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate?
tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-(aminomethyl)-1-ethylcyclobutyl]carbamate is sourced from PubChem (CID 163598216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).