1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol

C13H22N2O2 — CID 55025852

IUPAC1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(CNCC(O)COC(C)C)cn1
InChIInChI=1S/C13H22N2O2/c1-10(2)17-9-13(16)8-14-6-12-5-4-11(3)15-7-12/h4-5,7,10,13-14,16H,6,8-9H2,1-3H3
InChIKeyUQXCGNKZHZNXCQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.27
Rot. Bonds7

About 1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol

1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 55025852) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID55025852
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(CNCC(O)COC(C)C)cn1
InChIInChI=1S/C13H22N2O2/c1-10(2)17-9-13(16)8-14-6-12-5-4-11(3)15-7-12/h4-5,7,10,13-14,16H,6,8-9H2,1-3H3
InChIKeyUQXCGNKZHZNXCQ-UHFFFAOYSA-N
XLogP1.27
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 60969174
1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60632998
3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid
CID 103250585
(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 94611679
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180
1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 54937824
1-[(6-methoxy-3-pyridinyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62991515
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine
CID 171518990
2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid
CID 64584052
2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 62288410
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol (CID 55025852) is 1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol is Cc1ccc(CNCC(O)COC(C)C)cn1.
What is the InChIKey of 1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is UQXCGNKZHZNXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)17-9-13(16)8-14-6-12-5-4-11(3)15-7-12/h4-5,7,10,13-14,16H,6,8-9H2,1-3H3.
What are the key properties of 1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol?
1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 55025852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).