5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol

C11H19N3O — CID 82057663

IUPAC5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol
SMILESCc1ccc(N)c(NCCCCCO)n1
InChIInChI=1S/C11H19N3O/c1-9-5-6-10(12)11(14-9)13-7-3-2-4-8-15/h5-6,15H,2-4,7-8,12H2,1H3,(H,13,14)
InChIKeyCSTHYRARHLJCDW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.55
Rot. Bonds6

About 5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol

5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol (PubChem CID 82057663) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol
PubChem CID82057663
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol
SMILESCc1ccc(N)c(NCCCCCO)n1
InChIInChI=1S/C11H19N3O/c1-9-5-6-10(12)11(14-9)13-7-3-2-4-8-15/h5-6,15H,2-4,7-8,12H2,1H3,(H,13,14)
InChIKeyCSTHYRARHLJCDW-UHFFFAOYSA-N
XLogP1.55
TPSA71.17 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 ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol (CID 82057663) is 5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol is Cc1ccc(N)c(NCCCCCO)n1.
What is the InChIKey of 5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol?
The InChIKey is CSTHYRARHLJCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-5-6-10(12)11(14-9)13-7-3-2-4-8-15/h5-6,15H,2-4,7-8,12H2,1H3,(H,13,14).
What are the key properties of 5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol?
5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 82057663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).