(2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol

C11H18N2O — CID 114985818

IUPAC(2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol
SMILESCc1cc(N[C@H](CO)C(C)C)ccn1
InChIInChI=1S/C11H18N2O/c1-8(2)11(7-14)13-10-4-5-12-9(3)6-10/h4-6,8,11,14H,7H2,1-3H3,(H,12,13)/t11-/m1/s1
InChIKeyDSFVVDRYOJTPPI-LLVKDONJSA-N
MW194.28 g/mol
LogP1.82
Rot. Bonds4

About (2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol

(2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol (PubChem CID 114985818) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol
PubChem CID114985818
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol
SMILESCc1cc(N[C@H](CO)C(C)C)ccn1
InChIInChI=1S/C11H18N2O/c1-8(2)11(7-14)13-10-4-5-12-9(3)6-10/h4-6,8,11,14H,7H2,1-3H3,(H,12,13)/t11-/m1/s1
InChIKeyDSFVVDRYOJTPPI-LLVKDONJSA-N
XLogP1.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 114982685
2-(4-fluoro-3-methylanilino)-3-methylbutan-1-ol
CID 115137256
3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 103757100
3-[(2-amino-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 106358019
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
2-[(4-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248276
(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
CID 120964135
(2S,3S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
CID 120964592
3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol
CID 83063931
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 106283037
2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79254832

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol (CID 114985818) is (2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol is Cc1cc(N[C@H](CO)C(C)C)ccn1.
What is the InChIKey of (2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol?
The InChIKey is DSFVVDRYOJTPPI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)11(7-14)13-10-4-5-12-9(3)6-10/h4-6,8,11,14H,7H2,1-3H3,(H,12,13)/t11-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol?
(2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 114985818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).