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

C11H19N3O — CID 65102956

IUPAC3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ncccc1N
InChIInChI=1S/C11H19N3O/c1-3-11(15,4-2)8-14-10-9(12)6-5-7-13-10/h5-7,15H,3-4,8,12H2,1-2H3,(H,13,14)
InChIKeyAOWFGVQFQNXCOD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.63
Rot. Bonds5

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

3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol (PubChem CID 65102956) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol
PubChem CID65102956
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ncccc1N
InChIInChI=1S/C11H19N3O/c1-3-11(15,4-2)8-14-10-9(12)6-5-7-13-10/h5-7,15H,3-4,8,12H2,1-2H3,(H,13,14)
InChIKeyAOWFGVQFQNXCOD-UHFFFAOYSA-N
XLogP1.63
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-amino-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 65103157
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102801
3-amino-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 104742439
2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine
CID 106182042
2-[(3-amino-2-pyridinyl)amino]acetamide
CID 14390487
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
CID 65336318
3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80842506
2-N-[2-(diethylamino)ethyl]pyridine-2,3-diamine
CID 28818395
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol (CID 65102956) is 3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1ncccc1N.
What is the InChIKey of 3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol?
The InChIKey is AOWFGVQFQNXCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-11(15,4-2)8-14-10-9(12)6-5-7-13-10/h5-7,15H,3-4,8,12H2,1-2H3,(H,13,14).
What are the key properties of 3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol?
3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol has a molecular weight of 209.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65102956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).