3-[(2-amino-3-pyridinyl)amino]butan-1-ol

C9H15N3O — CID 104540669

IUPAC3-[(2-amino-3-pyridinyl)amino]butan-1-ol
SMILESCC(CCO)Nc1cccnc1N
InChIInChI=1S/C9H15N3O/c1-7(4-6-13)12-8-3-2-5-11-9(8)10/h2-3,5,7,12-13H,4,6H2,1H3,(H2,10,11)
InChIKeyIZFDNGBYJAPSEB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.85
Rot. Bonds4

About 3-[(2-amino-3-pyridinyl)amino]butan-1-ol

3-[(2-amino-3-pyridinyl)amino]butan-1-ol (PubChem CID 104540669) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-[(2-amino-3-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-3-pyridinyl)amino]butan-1-ol
PubChem CID104540669
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-[(2-amino-3-pyridinyl)amino]butan-1-ol
SMILESCC(CCO)Nc1cccnc1N
InChIInChI=1S/C9H15N3O/c1-7(4-6-13)12-8-3-2-5-11-9(8)10/h2-3,5,7,12-13H,4,6H2,1H3,(H2,10,11)
InChIKeyIZFDNGBYJAPSEB-UHFFFAOYSA-N
XLogP0.85
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

3-N-propan-2-ylpyridine-2,3-diamine
CID 58213244
3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
CID 104539778
(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol
CID 131182775
2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845881
3-N-octan-4-ylpyridine-2,3-diamine
CID 106022702
(2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol
CID 93081574
2-[(3-amino-2-pyridinyl)amino]propan-1-ol
CID 43498948
2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83188457
(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol
CID 125425283
2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol
CID 165405702
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346
3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine
CID 104758771

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-pyridinyl)amino]butan-1-ol?
The IUPAC name of 3-[(2-amino-3-pyridinyl)amino]butan-1-ol (CID 104540669) is 3-[(2-amino-3-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 3-[(2-amino-3-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 3-[(2-amino-3-pyridinyl)amino]butan-1-ol is CC(CCO)Nc1cccnc1N.
What is the InChIKey of 3-[(2-amino-3-pyridinyl)amino]butan-1-ol?
The InChIKey is IZFDNGBYJAPSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(4-6-13)12-8-3-2-5-11-9(8)10/h2-3,5,7,12-13H,4,6H2,1H3,(H2,10,11).
What are the key properties of 3-[(2-amino-3-pyridinyl)amino]butan-1-ol?
3-[(2-amino-3-pyridinyl)amino]butan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 104540669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).