1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol

C12H21N3O2 — CID 83121930

IUPAC1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccc([C@@H](C)N)nc1
InChIInChI=1S/C12H21N3O2/c1-9(13)12-5-4-10(6-14-12)15(2)7-11(16)8-17-3/h4-6,9,11,16H,7-8,13H2,1-3H3/t9-,11?/m1/s1
InChIKeyFZZVQAZKMRNHPX-BFHBGLAWSA-N
MW239.32 g/mol
LogP0.54
Rot. Bonds6

About 1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol

1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 83121930) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
PubChem CID83121930
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccc([C@@H](C)N)nc1
InChIInChI=1S/C12H21N3O2/c1-9(13)12-5-4-10(6-14-12)15(2)7-11(16)8-17-3/h4-6,9,11,16H,7-8,13H2,1-3H3/t9-,11?/m1/s1
InChIKeyFZZVQAZKMRNHPX-BFHBGLAWSA-N
XLogP0.54
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 83121929
6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine
CID 83126972
6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 83123142
5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide
CID 113321215
6-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 83122832
6-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylprop-2-enyl)pyridin-3-amine
CID 104868613
(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
6-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 83122822
(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132161
1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 63676060

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol (CID 83121930) is 1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1ccc([C@@H](C)N)nc1.
What is the InChIKey of 1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is FZZVQAZKMRNHPX-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(13)12-5-4-10(6-14-12)15(2)7-11(16)8-17-3/h4-6,9,11,16H,7-8,13H2,1-3H3/t9-,11?/m1/s1.
What are the key properties of 1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 83121930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).