3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol

C12H20N2O — CID 65110464

IUPAC3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ccncc1C
InChIInChI=1S/C12H20N2O/c1-4-12(15,5-2)9-14-11-6-7-13-8-10(11)3/h6-8,15H,4-5,9H2,1-3H3,(H,13,14)
InChIKeyDWPDUDTYHSPTMZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.35
Rot. Bonds5

About 3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol

3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol (PubChem CID 65110464) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol
PubChem CID65110464
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ccncc1C
InChIInChI=1S/C12H20N2O/c1-4-12(15,5-2)9-14-11-6-7-13-8-10(11)3/h6-8,15H,4-5,9H2,1-3H3,(H,13,14)
InChIKeyDWPDUDTYHSPTMZ-UHFFFAOYSA-N
XLogP2.35
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-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 3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol (CID 65110464) is 3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1ccncc1C.
What is the InChIKey of 3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol?
The InChIKey is DWPDUDTYHSPTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12(15,5-2)9-14-11-6-7-13-8-10(11)3/h6-8,15H,4-5,9H2,1-3H3,(H,13,14).
What are the key properties of 3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol?
3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol has a molecular weight of 208.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methyl-4-pyridinyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65110464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).