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

C11H18N2O — CID 104980540

IUPAC(2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccc(C)nc1
InChIInChI=1S/C11H18N2O/c1-3-11(8-14)13-7-10-5-4-9(2)12-6-10/h4-6,11,13-14H,3,7-8H2,1-2H3/t11-/m0/s1
InChIKeyHTJHFBNTBYMMSH-NSHDSACASA-N
MW194.28 g/mol
LogP1.25
Rot. Bonds5

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

(2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol (PubChem CID 104980540) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol
PubChem CID104980540
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccc(C)nc1
InChIInChI=1S/C11H18N2O/c1-3-11(8-14)13-7-10-5-4-9(2)12-6-10/h4-6,11,13-14H,3,7-8H2,1-2H3/t11-/m0/s1
InChIKeyHTJHFBNTBYMMSH-NSHDSACASA-N
XLogP1.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 89305217
methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate
CID 115353361
(2R)-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
CID 103924365
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol
CID 114176802
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361
2-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 2979936
(2S)-2-[(3-bromo-4-methylphenyl)methylamino]butan-1-ol
CID 105026288
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]butan-1-ol
CID 103924355
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol
CID 103924307
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
3-[(6-methyl-3-pyridinyl)methylamino]butanenitrile
CID 62996928

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol (CID 104980540) is (2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1ccc(C)nc1.
What is the InChIKey of (2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol?
The InChIKey is HTJHFBNTBYMMSH-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-11(8-14)13-7-10-5-4-9(2)12-6-10/h4-6,11,13-14H,3,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol?
(2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol is sourced from PubChem (CID 104980540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).