tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate

C14H26N2O2 — CID 170737498

IUPACtert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC([C@H]2C[C@@H]2N)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-10-6-4-9(5-7-10)11-8-12(11)15/h9-12H,4-8,15H2,1-3H3,(H,16,17)/t9?,10?,11-,12+/m1/s1
InChIKeyABSCMLKTWJLFQJ-HCWSGVFWSA-N
MW254.37 g/mol
LogP2.42
Rot. Bonds2

About tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate

tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate (PubChem CID 170737498) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate
PubChem CID170737498
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC([C@H]2C[C@@H]2N)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-10-6-4-9(5-7-10)11-8-12(11)15/h9-12H,4-8,15H2,1-3H3,(H,16,17)/t9?,10?,11-,12+/m1/s1
InChIKeyABSCMLKTWJLFQJ-HCWSGVFWSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[4-(oxiran-2-yl)cyclohexyl]carbamate
CID 87128955
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
tert-butyl N-[(1R,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
CID 98052973
tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
CID 25324125
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate (CID 170737498) is tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC([C@H]2C[C@@H]2N)CC1.
What is the InChIKey of tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate?
The InChIKey is ABSCMLKTWJLFQJ-HCWSGVFWSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-10-6-4-9(5-7-10)11-8-12(11)15/h9-12H,4-8,15H2,1-3H3,(H,16,17)/t9?,10?,11-,12+/m1/s1.
What are the key properties of tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate?
tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate is sourced from PubChem (CID 170737498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).