tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate

C14H28N2O2 — CID 118990032

IUPACtert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)18-12(17)16-14(4,5)10-6-8-11(15)9-7-10/h10-11H,6-9,15H2,1-5H3,(H,16,17)
InChIKeyIBPDGRLNPQXTTC-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.81
Rot. Bonds2

About tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate

tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate (PubChem CID 118990032) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate
PubChem CID118990032
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)18-12(17)16-14(4,5)10-6-8-11(15)9-7-10/h10-11H,6-9,15H2,1-5H3,(H,16,17)
InChIKeyIBPDGRLNPQXTTC-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(4-oxocyclohexyl)propan-2-yl]carbamate
CID 67075173
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate
CID 84723535
tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate
CID 90190140
tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate
CID 57465844
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl acetate;cyclopropanamine
CID 174763638
tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate
CID 161390684
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-(3-aminocyclopentyl)oxycarbamate
CID 105469849
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate (CID 118990032) is tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C1CCC(N)CC1.
What is the InChIKey of tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate?
The InChIKey is IBPDGRLNPQXTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)18-12(17)16-14(4,5)10-6-8-11(15)9-7-10/h10-11H,6-9,15H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate?
tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-aminocyclohexyl)propan-2-yl]carbamate is sourced from PubChem (CID 118990032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).