tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate

C12H19N3O2 — CID 172639114

IUPACtert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
SMILESCC(N)c1ccnc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C12H19N3O2/c1-8(13)9-5-6-14-10(7-9)15-11(16)17-12(2,3)4/h5-8H,13H2,1-4H3,(H,14,15,16)
InChIKeyMGOWOTAZARKILD-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.45
Rot. Bonds2

About tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate

tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate (PubChem CID 172639114) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
PubChem CID172639114
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
SMILESCC(N)c1ccnc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C12H19N3O2/c1-8(13)9-5-6-14-10(7-9)15-11(16)17-12(2,3)4/h5-8H,13H2,1-4H3,(H,14,15,16)
InChIKeyMGOWOTAZARKILD-UHFFFAOYSA-N
XLogP2.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(4-propan-2-yl-2-pyridinyl)carbamate
CID 168928521
tert-butyl N-[4-(1-bromo-2-oxo-2-phenylethyl)-2-pyridinyl]carbamate;hydrobromide
CID 11712544
tert-butyl N-[4-[(1R)-1-bromo-2-(3,5-dimethylphenyl)-2-oxoethyl]-2-pyridinyl]carbamate
CID 99646792
tert-butyl N-[3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propyl]-N-methylcarbamate
CID 169053084
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
tert-butyl N-[4-[[[(R)-tert-butylsulfinyl]amino]-cyclopropylmethyl]-2-pyridinyl]carbamate
CID 171790965
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
1-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]butane-1-sulfonic acid
CID 174445090
tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate
CID 173234410
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]ethyl acetate
CID 139349598
tert-butyl N-[4-[(1S)-2-methoxy-1-(4,4,4-trifluorobutanoylamino)ethyl]-2-pyridinyl]carbamate
CID 171790633
tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate
CID 86086992

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate (CID 172639114) is tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate is CC(N)c1ccnc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate?
The InChIKey is MGOWOTAZARKILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(13)9-5-6-14-10(7-9)15-11(16)17-12(2,3)4/h5-8H,13H2,1-4H3,(H,14,15,16).
What are the key properties of tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate?
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 172639114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).