[4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate

C12H19N3O2 — CID 174550199

IUPAC[4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cc(CCN)ccn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)15-11(16)17-10-8-9(4-6-13)5-7-14-10/h5,7-8H,4,6,13H2,1-3H3,(H,15,16)
InChIKeyDSJOCSAJRMHPNW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.47
Rot. Bonds3

About [4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate

[4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate (PubChem CID 174550199) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate
PubChem CID174550199
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cc(CCN)ccn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)15-11(16)17-10-8-9(4-6-13)5-7-14-10/h5,7-8H,4,6,13H2,1-3H3,(H,15,16)
InChIKeyDSJOCSAJRMHPNW-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate?
The IUPAC name of [4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate (CID 174550199) is [4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate.
What is the SMILES notation for [4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate?
The canonical SMILES for [4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1cc(CCN)ccn1.
What is the InChIKey of [4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate?
The InChIKey is DSJOCSAJRMHPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)15-11(16)17-10-8-9(4-6-13)5-7-14-10/h5,7-8H,4,6,13H2,1-3H3,(H,15,16).
What are the key properties of [4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate?
[4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)-2-pyridinyl] N-tert-butylcarbamate is sourced from PubChem (CID 174550199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).