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

C11H17N3O2 — CID 59730780

IUPACtert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(N)nc1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-7-8-4-5-9(12)13-6-8/h4-6H,7H2,1-3H3,(H2,12,13)(H,14,15)
InChIKeyWJWYLWHOKPLYRL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.69
Rot. Bonds2

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

tert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate (PubChem CID 59730780) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate
PubChem CID59730780
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(N)nc1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-7-8-4-5-9(12)13-6-8/h4-6H,7H2,1-3H3,(H2,12,13)(H,14,15)
InChIKeyWJWYLWHOKPLYRL-UHFFFAOYSA-N
XLogP1.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate (CID 59730780) is tert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(N)nc1.
What is the InChIKey of tert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate?
The InChIKey is WJWYLWHOKPLYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-7-8-4-5-9(12)13-6-8/h4-6H,7H2,1-3H3,(H2,12,13)(H,14,15).
What are the key properties of tert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate?
tert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate has a molecular weight of 223.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-amino-3-pyridinyl)methyl]carbamate is sourced from PubChem (CID 59730780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).