3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol

C15H26N2O — CID 107874744

IUPAC3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H26N2O/c1-6-15(18,7-2)11-17-13-9-8-12(10-16-13)14(3,4)5/h8-10,18H,6-7,11H2,1-5H3,(H,16,17)
InChIKeyLDRRWNSXZKMNFP-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.34
Rot. Bonds5

About 3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol

3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol (PubChem CID 107874744) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol
PubChem CID107874744
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H26N2O/c1-6-15(18,7-2)11-17-13-9-8-12(10-16-13)14(3,4)5/h8-10,18H,6-7,11H2,1-5H3,(H,16,17)
InChIKeyLDRRWNSXZKMNFP-UHFFFAOYSA-N
XLogP3.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(5-tert-butyl-2-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-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol (CID 107874744) is 3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol?
The InChIKey is LDRRWNSXZKMNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-15(18,7-2)11-17-13-9-8-12(10-16-13)14(3,4)5/h8-10,18H,6-7,11H2,1-5H3,(H,16,17).
What are the key properties of 3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol?
3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol has a molecular weight of 250.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 107874744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).