N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine

C14H22N2O3 — CID 129400587

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine
SMILESCOc1ccnc(CN(C)C[C@H]2CCCO2)c1OC
InChIInChI=1S/C14H22N2O3/c1-16(9-11-5-4-8-19-11)10-12-14(18-3)13(17-2)6-7-15-12/h6-7,11H,4-5,8-10H2,1-3H3/t11-/m1/s1
InChIKeyUSGLAIFPVWSBMZ-LLVKDONJSA-N
MW266.34 g/mol
LogP1.71
Rot. Bonds6

About N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 129400587) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID129400587
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine
SMILESCOc1ccnc(CN(C)C[C@H]2CCCO2)c1OC
InChIInChI=1S/C14H22N2O3/c1-16(9-11-5-4-8-19-11)10-12-14(18-3)13(17-2)6-7-15-12/h6-7,11H,4-5,8-10H2,1-3H3/t11-/m1/s1
InChIKeyUSGLAIFPVWSBMZ-LLVKDONJSA-N
XLogP1.71
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine (CID 129400587) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine is COc1ccnc(CN(C)C[C@H]2CCCO2)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is USGLAIFPVWSBMZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16(9-11-5-4-8-19-11)10-12-14(18-3)13(17-2)6-7-15-12/h6-7,11H,4-5,8-10H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methyl-1-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 129400587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).