1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol

C13H23N3O2 — CID 54994894

IUPAC1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc(C)cc(C)c1CN
InChIInChI=1S/C13H23N3O2/c1-9-5-10(2)15-13(12(9)6-14)16(3)7-11(17)8-18-4/h5,11,17H,6-8,14H2,1-4H3
InChIKeyZQJOINBBSIXCPS-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.60
Rot. Bonds6

About 1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol

1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 54994894) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
PubChem CID54994894
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc(C)cc(C)c1CN
InChIInChI=1S/C13H23N3O2/c1-9-5-10(2)15-13(12(9)6-14)16(3)7-11(17)8-18-4/h5,11,17H,6-8,14H2,1-4H3
InChIKeyZQJOINBBSIXCPS-UHFFFAOYSA-N
XLogP0.60
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol (CID 54994894) is 1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1nc(C)cc(C)c1CN.
What is the InChIKey of 1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is ZQJOINBBSIXCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-5-10(2)15-13(12(9)6-14)16(3)7-11(17)8-18-4/h5,11,17H,6-8,14H2,1-4H3.
What are the key properties of 1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 54994894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).