ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol

C11H20N2O — CID 169237449

IUPACethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol
SMILESCC.CNc1cc(C(C)(C)O)ccn1
InChIInChI=1S/C9H14N2O.C2H6/c1-9(2,12)7-4-5-11-8(6-7)10-3;1-2/h4-6,12H,1-3H3,(H,10,11);1-2H3
InChIKeyYKLLNBBCMPHVBC-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.38
Rot. Bonds2

About ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol

ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol (PubChem CID 169237449) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Nameethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol
PubChem CID169237449
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol
SMILESCC.CNc1cc(C(C)(C)O)ccn1
InChIInChI=1S/C9H14N2O.C2H6/c1-9(2,12)7-4-5-11-8(6-7)10-3;1-2/h4-6,12H,1-3H3,(H,10,11);1-2H3
InChIKeyYKLLNBBCMPHVBC-UHFFFAOYSA-N
XLogP2.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-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 ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol?
The IUPAC name of ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol (CID 169237449) is ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol.
What is the SMILES notation for ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol?
The canonical SMILES for ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol is CC.CNc1cc(C(C)(C)O)ccn1.
What is the InChIKey of ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol?
The InChIKey is YKLLNBBCMPHVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2H6/c1-9(2,12)7-4-5-11-8(6-7)10-3;1-2/h4-6,12H,1-3H3,(H,10,11);1-2H3.
What are the key properties of ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol?
ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 169237449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).