4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol

C12H20N2O — CID 115644639

IUPAC4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol
SMILESCC(O)CC(C)CNCc1ccccn1
InChIInChI=1S/C12H20N2O/c1-10(7-11(2)15)8-13-9-12-5-3-4-6-14-12/h3-6,10-11,13,15H,7-9H2,1-2H3
InChIKeyTXFPJPGAOBPTGC-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.58
Rot. Bonds6

About 4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol

4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol (PubChem CID 115644639) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol
PubChem CID115644639
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol
SMILESCC(O)CC(C)CNCc1ccccn1
InChIInChI=1S/C12H20N2O/c1-10(7-11(2)15)8-13-9-12-5-3-4-6-14-12/h3-6,10-11,13,15H,7-9H2,1-2H3
InChIKeyTXFPJPGAOBPTGC-UHFFFAOYSA-N
XLogP1.58
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797314
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 103614627
ethane;N-methylpropan-2-imine;2-methyl-N,N,N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 143631475
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633849
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 170156896

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol?
The IUPAC name of 4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol (CID 115644639) is 4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol?
The canonical SMILES for 4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol is CC(O)CC(C)CNCc1ccccn1.
What is the InChIKey of 4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol?
The InChIKey is TXFPJPGAOBPTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(7-11(2)15)8-13-9-12-5-3-4-6-14-12/h3-6,10-11,13,15H,7-9H2,1-2H3.
What are the key properties of 4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol?
4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol has a molecular weight of 208.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 115644639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).