3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol

C12H20N2O2 — CID 106171463

IUPAC3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cccc(OC)n1
InChIInChI=1S/C12H20N2O2/c1-4-12(2,8-9-15)14-10-6-5-7-11(13-10)16-3/h5-7,15H,4,8-9H2,1-3H3,(H,13,14)
InChIKeyXWUPRRSYNHVHPN-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.05
Rot. Bonds6

About 3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol

3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol (PubChem CID 106171463) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol
PubChem CID106171463
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cccc(OC)n1
InChIInChI=1S/C12H20N2O2/c1-4-12(2,8-9-15)14-10-6-5-7-11(13-10)16-3/h5-7,15H,4,8-9H2,1-3H3,(H,13,14)
InChIKeyXWUPRRSYNHVHPN-UHFFFAOYSA-N
XLogP2.05
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 106171147
6-bromo-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106330912
6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178733
1-N-(6-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 63590945
3-[(6-aminopyridazin-3-yl)amino]-3-methylpentan-1-ol
CID 106174456
2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307016
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171523
3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178744
3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179082
3-[(6-methoxy-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106277902

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol (CID 106171463) is 3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)Nc1cccc(OC)n1.
What is the InChIKey of 3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol?
The InChIKey is XWUPRRSYNHVHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-12(2,8-9-15)14-10-6-5-7-11(13-10)16-3/h5-7,15H,4,8-9H2,1-3H3,(H,13,14).
What are the key properties of 3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol?
3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106171463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).