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

C12H20N2O — CID 99855806

IUPAC(2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol
SMILESCC[C@](C)(CO)CNc1cccc(C)n1
InChIInChI=1S/C12H20N2O/c1-4-12(3,9-15)8-13-11-7-5-6-10(2)14-11/h5-7,15H,4,8-9H2,1-3H3,(H,13,14)/t12-/m0/s1
InChIKeyNJGOGJSTTLDFBI-LBPRGKRZSA-N
MW208.31 g/mol
LogP2.21
Rot. Bonds5

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

(2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol (PubChem CID 99855806) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol
PubChem CID99855806
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol
SMILESCC[C@](C)(CO)CNc1cccc(C)n1
InChIInChI=1S/C12H20N2O/c1-4-12(3,9-15)8-13-11-7-5-6-10(2)14-11/h5-7,15H,4,8-9H2,1-3H3,(H,13,14)/t12-/m0/s1
InChIKeyNJGOGJSTTLDFBI-LBPRGKRZSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol?
The IUPAC name of (2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol (CID 99855806) is (2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol.
What is the SMILES notation for (2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol?
The canonical SMILES for (2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol is CC[C@](C)(CO)CNc1cccc(C)n1.
What is the InChIKey of (2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol?
The InChIKey is NJGOGJSTTLDFBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12(3,9-15)8-13-11-7-5-6-10(2)14-11/h5-7,15H,4,8-9H2,1-3H3,(H,13,14)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol?
(2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 99855806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).