tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate

C13H21N3O2 — CID 167211985

IUPACtert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1cc(N)ccn1
InChIInChI=1S/C13H21N3O2/c1-12(2,3)18-11(17)16-13(4,5)10-8-9(14)6-7-15-10/h6-8H,1-5H3,(H2,14,15)(H,16,17)
InChIKeyPXUYFOYPBZEDAL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.42
Rot. Bonds2

About tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate

tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate (PubChem CID 167211985) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate
PubChem CID167211985
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nametert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1cc(N)ccn1
InChIInChI=1S/C13H21N3O2/c1-12(2,3)18-11(17)16-13(4,5)10-8-9(14)6-7-15-10/h6-8H,1-5H3,(H2,14,15)(H,16,17)
InChIKeyPXUYFOYPBZEDAL-UHFFFAOYSA-N
XLogP2.42
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate
CID 22981126
tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate
CID 11369088
tert-butyl N-(4-amino-2-pyridin-2-ylbutan-2-yl)carbamate
CID 83693743
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
tert-butyl N-[4-(2-amino-4-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884300
tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate
CID 121449253
tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 118902581
tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
CID 167721913
CID 177154667
CID 177154667
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid
CID 171652736
tert-butyl N-[2-[5-(3-chloro-5-nitro-2-pyridinyl)-2-pyridinyl]propan-2-yl]carbamate
CID 139271472

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate (CID 167211985) is tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)c1cc(N)ccn1.
What is the InChIKey of tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate?
The InChIKey is PXUYFOYPBZEDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-12(2,3)18-11(17)16-13(4,5)10-8-9(14)6-7-15-10/h6-8H,1-5H3,(H2,14,15)(H,16,17).
What are the key properties of tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate?
tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate is sourced from PubChem (CID 167211985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).