5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol

C11H19N3O — CID 106138149

IUPAC5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
SMILESCNc1cncc(NCCCC(C)O)c1
InChIInChI=1S/C11H19N3O/c1-9(15)4-3-5-14-11-6-10(12-2)7-13-8-11/h6-9,12,14-15H,3-5H2,1-2H3
InChIKeyWCPHMSPIUQOWIU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.70
Rot. Bonds6

About 5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol

5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol (PubChem CID 106138149) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
PubChem CID106138149
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
SMILESCNc1cncc(NCCCC(C)O)c1
InChIInChI=1S/C11H19N3O/c1-9(15)4-3-5-14-11-6-10(12-2)7-13-8-11/h6-9,12,14-15H,3-5H2,1-2H3
InChIKeyWCPHMSPIUQOWIU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine
CID 104534461
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
CID 104767059
2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol
CID 106311546
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine
CID 113423751
N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide
CID 104532982
N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 113423927
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138236

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol?
The IUPAC name of 5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol (CID 106138149) is 5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol?
The canonical SMILES for 5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol is CNc1cncc(NCCCC(C)O)c1.
What is the InChIKey of 5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol?
The InChIKey is WCPHMSPIUQOWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(15)4-3-5-14-11-6-10(12-2)7-13-8-11/h6-9,12,14-15H,3-5H2,1-2H3.
What are the key properties of 5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol?
5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-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 5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol is sourced from PubChem (CID 106138149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).