tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate

C11H22N2O2 — CID 148734897

IUPACtert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCC(N)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8?,9-/m1/s1
InChIKeyOBSACSBMTRJNPH-YGPZHTELSA-N
MW214.31 g/mol
LogP1.78
Rot. Bonds1

About tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate

tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate (PubChem CID 148734897) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
PubChem CID148734897
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCC(N)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8?,9-/m1/s1
InChIKeyOBSACSBMTRJNPH-YGPZHTELSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
CID 71685847
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
tert-butyl N-[3-(iodomethyl)cyclohexyl]carbamate
CID 70036969
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate (CID 148734897) is tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCC(N)C1.
What is the InChIKey of tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate?
The InChIKey is OBSACSBMTRJNPH-YGPZHTELSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8?,9-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate?
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate is sourced from PubChem (CID 148734897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).