(2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol

C11H19N3O — CID 80848987

IUPAC(2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol
SMILESCNc1cccc(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-8(2)9(7-15)13-11-6-4-5-10(12-3)14-11/h4-6,8-9,15H,7H2,1-3H3,(H2,12,13,14)/t9-/m1/s1
InChIKeyOXEVGQSKFXJSSP-SECBINFHSA-N
MW209.29 g/mol
LogP1.55
Rot. Bonds5

About (2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol

(2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol (PubChem CID 80848987) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol
PubChem CID80848987
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol
SMILESCNc1cccc(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-8(2)9(7-15)13-11-6-4-5-10(12-3)14-11/h4-6,8-9,15H,7H2,1-3H3,(H2,12,13,14)/t9-/m1/s1
InChIKeyOXEVGQSKFXJSSP-SECBINFHSA-N
XLogP1.55
TPSA57.18 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 ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol with MolForge

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Related Compounds

(2S)-2-[(6-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 80648091
2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79254007
3-methyl-2-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80847955
(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80848437
4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
CID 106358070
methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate
CID 80811711
1-[[6-(methylamino)-2-pyridinyl]amino]propan-2-ol
CID 80780222
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248203
(2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol
CID 79839054
3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 103468731
2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
CID 80811958
3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine
CID 65192341

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol (CID 80848987) is (2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol is CNc1cccc(N[C@H](CO)C(C)C)n1.
What is the InChIKey of (2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol?
The InChIKey is OXEVGQSKFXJSSP-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)9(7-15)13-11-6-4-5-10(12-3)14-11/h4-6,8-9,15H,7H2,1-3H3,(H2,12,13,14)/t9-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol?
(2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 80848987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).