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

C12H21N3O2 — CID 55046573

IUPAC1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
SMILESCNc1ccc(CN(C)CC(O)COC)cn1
InChIInChI=1S/C12H21N3O2/c1-13-12-5-4-10(6-14-12)7-15(2)8-11(16)9-17-3/h4-6,11,16H,7-9H2,1-3H3,(H,13,14)
InChIKeyWKSOLHGAHWZBDF-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.56
Rot. Bonds7

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

1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol (PubChem CID 55046573) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
PubChem CID55046573
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
SMILESCNc1ccc(CN(C)CC(O)COC)cn1
InChIInChI=1S/C12H21N3O2/c1-13-12-5-4-10(6-14-12)7-15(2)8-11(16)9-17-3/h4-6,11,16H,7-9H2,1-3H3,(H,13,14)
InChIKeyWKSOLHGAHWZBDF-UHFFFAOYSA-N
XLogP0.56
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
CID 62337350
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62464336
1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016738
1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol
CID 103056206
1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 75484188
1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 103883811
N,N-diethyl-2-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]acetamide
CID 62207561
N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine
CID 55046136
N-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 62208786
5-[[cyclobutylmethyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62862067

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol (CID 55046573) is 1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol is CNc1ccc(CN(C)CC(O)COC)cn1.
What is the InChIKey of 1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol?
The InChIKey is WKSOLHGAHWZBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-12-5-4-10(6-14-12)7-15(2)8-11(16)9-17-3/h4-6,11,16H,7-9H2,1-3H3,(H,13,14).
What are the key properties of 1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 55046573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).