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

C12H19N3O2 — CID 58882151

IUPACtert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CCN)cn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-10-5-4-9(6-7-13)8-14-10/h4-5,8H,6-7,13H2,1-3H3,(H,14,15,16)
InChIKeyAETTZKRFJDMQNU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.93
Rot. Bonds3

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

tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate (PubChem CID 58882151) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
PubChem CID58882151
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CCN)cn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-10-5-4-9(6-7-13)8-14-10/h4-5,8H,6-7,13H2,1-3H3,(H,14,15,16)
InChIKeyAETTZKRFJDMQNU-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl 2-diethoxyphosphoryl-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 86600165
tert-butyl N-[3-[[5-(hydroxymethyl)-2-pyridinyl]amino]-3-oxopropyl]carbamate
CID 167767355
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate
CID 154806225
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate
CID 66694551
tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate
CID 150097350
tert-butyl N-(5-prop-1-ynyl-2-pyridinyl)carbamate
CID 174419990
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate (CID 58882151) is tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CCN)cn1.
What is the InChIKey of tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate?
The InChIKey is AETTZKRFJDMQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-10-5-4-9(6-7-13)8-14-10/h4-5,8H,6-7,13H2,1-3H3,(H,14,15,16).
What are the key properties of tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate?
tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 58882151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).