tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate

C12H19N3O2 — CID 86238106

IUPACtert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(N)nc1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-7-6-9-4-5-10(13)15-8-9/h4-5,8H,6-7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyUDZYRCLSNCTEIG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.73
Rot. Bonds3

About tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate

tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate (PubChem CID 86238106) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
PubChem CID86238106
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(N)nc1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-7-6-9-4-5-10(13)15-8-9/h4-5,8H,6-7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyUDZYRCLSNCTEIG-UHFFFAOYSA-N
XLogP1.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate
CID 102539652
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate
CID 170855746
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
CID 22981165
tert-butyl N-[3-(4-aminophenyl)propyl]carbamate
CID 39353167
methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 141484453
tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate
CID 164526047
tert-butyl N-[2-(4-iodophenyl)ethyl]carbamate;2-(4-iodophenyl)ethanamine
CID 161470300
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
methyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]acetate
CID 59456133

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate (CID 86238106) is tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc(N)nc1.
What is the InChIKey of tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate?
The InChIKey is UDZYRCLSNCTEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-7-6-9-4-5-10(13)15-8-9/h4-5,8H,6-7H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate?
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate is sourced from PubChem (CID 86238106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).