4-[(6-amino-2-pyridinyl)amino]butan-1-ol

C9H15N3O — CID 106846869

IUPAC4-[(6-amino-2-pyridinyl)amino]butan-1-ol
SMILESNc1cccc(NCCCCO)n1
InChIInChI=1S/C9H15N3O/c10-8-4-3-5-9(12-8)11-6-1-2-7-13/h3-5,13H,1-2,6-7H2,(H3,10,11,12)
InChIKeyPWNPDMVLCKNWDP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.85
Rot. Bonds5

About 4-[(6-amino-2-pyridinyl)amino]butan-1-ol

4-[(6-amino-2-pyridinyl)amino]butan-1-ol (PubChem CID 106846869) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[(6-amino-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(6-amino-2-pyridinyl)amino]butan-1-ol
PubChem CID106846869
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-[(6-amino-2-pyridinyl)amino]butan-1-ol
SMILESNc1cccc(NCCCCO)n1
InChIInChI=1S/C9H15N3O/c10-8-4-3-5-9(12-8)11-6-1-2-7-13/h3-5,13H,1-2,6-7H2,(H3,10,11,12)
InChIKeyPWNPDMVLCKNWDP-UHFFFAOYSA-N
XLogP0.85
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.85
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

2-[(6-amino-2-pyridinyl)amino]ethanol
CID 66907238
4-[(6-hydrazinyl-2-pyridinyl)amino]butan-1-ol
CID 106847100
6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
CID 107854113
6-N-(7-methyloctyl)pyridine-2,6-diamine
CID 114004472
6-N-(3-methoxypropyl)pyridine-2,6-diamine
CID 80647839
6-N-[2-(methylamino)ethyl]pyridine-2,6-diamine
CID 10888283
6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80646711
6-N-(3-methylbutyl)pyridine-2,6-diamine
CID 80647498
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017
6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 80648183
6-N-[2-(diethylamino)ethyl]pyridine-2,6-diamine
CID 10856706

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 4-[(6-amino-2-pyridinyl)amino]butan-1-ol (CID 106846869) is 4-[(6-amino-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 4-[(6-amino-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 4-[(6-amino-2-pyridinyl)amino]butan-1-ol is Nc1cccc(NCCCCO)n1.
What is the InChIKey of 4-[(6-amino-2-pyridinyl)amino]butan-1-ol?
The InChIKey is PWNPDMVLCKNWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-8-4-3-5-9(12-8)11-6-1-2-7-13/h3-5,13H,1-2,6-7H2,(H3,10,11,12).
What are the key properties of 4-[(6-amino-2-pyridinyl)amino]butan-1-ol?
4-[(6-amino-2-pyridinyl)amino]butan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 106846869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).