(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol

C9H15N3O — CID 86323908

IUPAC(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
SMILESC[C@H](O)CCNc1ncccc1N
InChIInChI=1S/C9H15N3O/c1-7(13)4-6-12-9-8(10)3-2-5-11-9/h2-3,5,7,13H,4,6,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyCJOBFPBTBMDGFX-ZETCQYMHSA-N
MW181.24 g/mol
LogP0.85
Rot. Bonds4

About (2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol

(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol (PubChem CID 86323908) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
PubChem CID86323908
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
SMILESC[C@H](O)CCNc1ncccc1N
InChIInChI=1S/C9H15N3O/c1-7(13)4-6-12-9-8(10)3-2-5-11-9/h2-3,5,7,13H,4,6,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyCJOBFPBTBMDGFX-ZETCQYMHSA-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

4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol
CID 106243050
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol
CID 66278456
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
2-[(3-amino-2-pyridinyl)amino]acetamide
CID 14390487
2-N-[2-(diethylamino)ethyl]pyridine-2,3-diamine
CID 28818395
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
(2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol
CID 93081574
2-[(3-amino-2-pyridinyl)amino]propan-1-ol
CID 43498948
N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 43545947
2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine
CID 106182042

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of (2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol (CID 86323908) is (2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for (2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for (2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol is C[C@H](O)CCNc1ncccc1N.
What is the InChIKey of (2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol?
The InChIKey is CJOBFPBTBMDGFX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(13)4-6-12-9-8(10)3-2-5-11-9/h2-3,5,7,13H,4,6,10H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol?
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-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 (2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 86323908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).