tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate

C11H17N3O2 — CID 42553118

IUPACtert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CN)cn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9/h4-5,7H,6,12H2,1-3H3,(H,13,14,15)
InChIKeyDFLQTVPEIMTXSZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.89
Rot. Bonds2

About tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate

tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate (PubChem CID 42553118) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate
PubChem CID42553118
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CN)cn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9/h4-5,7H,6,12H2,1-3H3,(H,13,14,15)
InChIKeyDFLQTVPEIMTXSZ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate (CID 42553118) is tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CN)cn1.
What is the InChIKey of tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate?
The InChIKey is DFLQTVPEIMTXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9/h4-5,7H,6,12H2,1-3H3,(H,13,14,15).
What are the key properties of tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate?
tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate has a molecular weight of 223.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 42553118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).