tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate

C12H19N3O2 — CID 83717033

IUPACtert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CCN)c1cccnc1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15(8-6-13)10-5-4-7-14-9-10/h4-5,7,9H,6,8,13H2,1-3H3
InChIKeyJZCBRUJTUHPKCB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.78
Rot. Bonds3

About tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate

tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate (PubChem CID 83717033) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate
PubChem CID83717033
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CCN)c1cccnc1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15(8-6-13)10-5-4-7-14-9-10/h4-5,7,9H,6,8,13H2,1-3H3
InChIKeyJZCBRUJTUHPKCB-UHFFFAOYSA-N
XLogP1.78
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate 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-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine
CID 174804063
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
CID 19019620
tert-butyl N-[(5-cyclohexyl-2-pyridinyl)methyl]-N-pyridin-3-ylcarbamate
CID 165153021
3-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]propanoic acid
CID 118973522
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid
CID 69352582
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 28768964

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate (CID 83717033) is tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate is CC(C)(C)OC(=O)N(CCN)c1cccnc1.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate?
The InChIKey is JZCBRUJTUHPKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15(8-6-13)10-5-4-7-14-9-10/h4-5,7,9H,6,8,13H2,1-3H3.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate?
tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate is sourced from PubChem (CID 83717033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).