(2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol

C13H23N3O2 — CID 143143487

IUPAC(2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol
SMILESCC[C@@H](CO)N(CC)CC(O)c1ccc(N)nc1
InChIInChI=1S/C13H23N3O2/c1-3-11(9-17)16(4-2)8-12(18)10-5-6-13(14)15-7-10/h5-7,11-12,17-18H,3-4,8-9H2,1-2H3,(H2,14,15)/t11-,12?/m0/s1
InChIKeyDTFLCOPHVSSPLL-PXYINDEMSA-N
MW253.35 g/mol
LogP0.79
Rot. Bonds7

About (2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol

(2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol (PubChem CID 143143487) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol
PubChem CID143143487
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol
SMILESCC[C@@H](CO)N(CC)CC(O)c1ccc(N)nc1
InChIInChI=1S/C13H23N3O2/c1-3-11(9-17)16(4-2)8-12(18)10-5-6-13(14)15-7-10/h5-7,11-12,17-18H,3-4,8-9H2,1-2H3,(H2,14,15)/t11-,12?/m0/s1
InChIKeyDTFLCOPHVSSPLL-PXYINDEMSA-N
XLogP0.79
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol?
The IUPAC name of (2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol (CID 143143487) is (2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol is CC[C@@H](CO)N(CC)CC(O)c1ccc(N)nc1.
What is the InChIKey of (2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol?
The InChIKey is DTFLCOPHVSSPLL-PXYINDEMSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-11(9-17)16(4-2)8-12(18)10-5-6-13(14)15-7-10/h5-7,11-12,17-18H,3-4,8-9H2,1-2H3,(H2,14,15)/t11-,12?/m0/s1.
What are the key properties of (2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol?
(2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol is sourced from PubChem (CID 143143487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).