[6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine

C13H21N3O2 — CID 106907312

IUPAC[6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCOC1CN(Cc2cccc(CN)n2)CC1OC
InChIInChI=1S/C13H21N3O2/c1-17-12-8-16(9-13(12)18-2)7-11-5-3-4-10(6-14)15-11/h3-5,12-13H,6-9,14H2,1-2H3
InChIKeyLZLKOFZSWOVDHV-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.39
Rot. Bonds5

About [6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine

[6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 106907312) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID106907312
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCOC1CN(Cc2cccc(CN)n2)CC1OC
InChIInChI=1S/C13H21N3O2/c1-17-12-8-16(9-13(12)18-2)7-11-5-3-4-10(6-14)15-11/h3-5,12-13H,6-9,14H2,1-2H3
InChIKeyLZLKOFZSWOVDHV-UHFFFAOYSA-N
XLogP0.39
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine (CID 106907312) is [6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine is COC1CN(Cc2cccc(CN)n2)CC1OC.
What is the InChIKey of [6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is LZLKOFZSWOVDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-17-12-8-16(9-13(12)18-2)7-11-5-3-4-10(6-14)15-11/h3-5,12-13H,6-9,14H2,1-2H3.
What are the key properties of [6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine?
[6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106907312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).