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

C12H19N3O2 — CID 83717032

IUPACtert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CCN)c1ccccn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15(9-7-13)10-6-4-5-8-14-10/h4-6,8H,7,9,13H2,1-3H3
InChIKeyIGSQGRPGVUSYNU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.78
Rot. Bonds3

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

tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate (PubChem CID 83717032) 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-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
PubChem CID83717032
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CCN)c1ccccn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15(9-7-13)10-6-4-5-8-14-10/h4-6,8H,7,9,13H2,1-3H3
InChIKeyIGSQGRPGVUSYNU-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

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Related Compounds

tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate
CID 123588396
3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoylcarbamoyl hydrogen carbonate
CID 22594305
tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate
CID 83717033
tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate
CID 142656048
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate
CID 58230695
[5-[4-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]butyl]-1,3,4-thiadiazol-2-yl] formate
CID 57057466
methyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]ethoxy]benzoate
CID 54123993
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propoxy]phenyl]propanoate
CID 59665383
3-[3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propyl]-2H-indazole-5-carboxylic acid
CID 67660697
2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid
CID 23450228
tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine
CID 174804063
tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate
CID 58230679

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate (CID 83717032) is tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate is CC(C)(C)OC(=O)N(CCN)c1ccccn1.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate?
The InChIKey is IGSQGRPGVUSYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15(9-7-13)10-6-4-5-8-14-10/h4-6,8H,7,9,13H2,1-3H3.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate?
tert-butyl N-(2-aminoethyl)-N-pyridin-2-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-2-ylcarbamate is sourced from PubChem (CID 83717032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).