2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol

C11H19N3O — CID 82104378

IUPAC2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol
SMILESCCNc1ccc(NC(CC)CO)nc1
InChIInChI=1S/C11H19N3O/c1-3-9(8-15)14-11-6-5-10(7-13-11)12-4-2/h5-7,9,12,15H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyTXMADRSTRNMCRM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.70
Rot. Bonds6

About 2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol

2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol (PubChem CID 82104378) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol
PubChem CID82104378
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol
SMILESCCNc1ccc(NC(CC)CO)nc1
InChIInChI=1S/C11H19N3O/c1-3-9(8-15)14-11-6-5-10(7-13-11)12-4-2/h5-7,9,12,15H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyTXMADRSTRNMCRM-UHFFFAOYSA-N
XLogP1.70
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(ethylamino)-2-pyridinyl]amino]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 2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol?
The IUPAC name of 2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol (CID 82104378) is 2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol is CCNc1ccc(NC(CC)CO)nc1.
What is the InChIKey of 2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol?
The InChIKey is TXMADRSTRNMCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9(8-15)14-11-6-5-10(7-13-11)12-4-2/h5-7,9,12,15H,3-4,8H2,1-2H3,(H,13,14).
What are the key properties of 2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol?
2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 82104378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).