2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol

C12H20N2O — CID 81405139

IUPAC2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
SMILESC[C@@H](NCCC(C)(C)O)c1cccnc1
InChIInChI=1S/C12H20N2O/c1-10(11-5-4-7-13-9-11)14-8-6-12(2,3)15/h4-5,7,9-10,14-15H,6,8H2,1-3H3/t10-/m1/s1
InChIKeyWQHLSLDTGWLQHC-SNVBAGLBSA-N
MW208.31 g/mol
LogP1.89
Rot. Bonds5

About 2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol

2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol (PubChem CID 81405139) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
PubChem CID81405139
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
SMILESC[C@@H](NCCC(C)(C)O)c1cccnc1
InChIInChI=1S/C12H20N2O/c1-10(11-5-4-7-13-9-11)14-8-6-12(2,3)15/h4-5,7,9-10,14-15H,6,8H2,1-3H3/t10-/m1/s1
InChIKeyWQHLSLDTGWLQHC-SNVBAGLBSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol with MolForge

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Related Compounds

2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 10889092
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile
CID 106709505
2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524
6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
CID 81405026
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679
(1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol?
The IUPAC name of 2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol (CID 81405139) is 2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol is C[C@@H](NCCC(C)(C)O)c1cccnc1.
What is the InChIKey of 2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol?
The InChIKey is WQHLSLDTGWLQHC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(11-5-4-7-13-9-11)14-8-6-12(2,3)15/h4-5,7,9-10,14-15H,6,8H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol?
2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol has a molecular weight of 208.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol is sourced from PubChem (CID 81405139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).