3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol

C12H21N3O2 — CID 43261814

IUPAC3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
SMILESCC(C)COc1nc(NCCCO)ccc1N
InChIInChI=1S/C12H21N3O2/c1-9(2)8-17-12-10(13)4-5-11(15-12)14-6-3-7-16/h4-5,9,16H,3,6-8,13H2,1-2H3,(H,14,15)
InChIKeyYQVJDHNBJHPNEQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.49
Rot. Bonds7

About 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol

3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol (PubChem CID 43261814) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
PubChem CID43261814
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
SMILESCC(C)COc1nc(NCCCO)ccc1N
InChIInChI=1S/C12H21N3O2/c1-9(2)8-17-12-10(13)4-5-11(15-12)14-6-3-7-16/h4-5,9,16H,3,6-8,13H2,1-2H3,(H,14,15)
InChIKeyYQVJDHNBJHPNEQ-UHFFFAOYSA-N
XLogP1.49
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide
CID 60863727
6-(2-methylpropoxy)-2-N-(4,4,4-trifluorobutyl)pyridine-2,5-diamine
CID 115515323
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 114150970
2-N-[2-[ethyl(methyl)amino]ethyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 62636467
2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43498930
3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol
CID 106113747
2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol
CID 106251317
5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154613
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 62975170
6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine
CID 64548244
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide
CID 79377004

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol (CID 43261814) is 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol is CC(C)COc1nc(NCCCO)ccc1N.
What is the InChIKey of 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is YQVJDHNBJHPNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)8-17-12-10(13)4-5-11(15-12)14-6-3-7-16/h4-5,9,16H,3,6-8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol?
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 43261814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).