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

C12H19N3O2 — CID 103530760

IUPAC[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine
SMILESCOC1CN(c2cc(CN)ccn2)CC1OC
InChIInChI=1S/C12H19N3O2/c1-16-10-7-15(8-11(10)17-2)12-5-9(6-13)3-4-14-12/h3-5,10-11H,6-8,13H2,1-2H3
InChIKeyMRDWATKTDKITPR-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.39
Rot. Bonds4

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

[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine (PubChem CID 103530760) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine
PubChem CID103530760
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine
SMILESCOC1CN(c2cc(CN)ccn2)CC1OC
InChIInChI=1S/C12H19N3O2/c1-16-10-7-15(8-11(10)17-2)12-5-9(6-13)3-4-14-12/h3-5,10-11H,6-8,13H2,1-2H3
InChIKeyMRDWATKTDKITPR-UHFFFAOYSA-N
XLogP0.39
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103539475
[2-[4-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methanamine
CID 63971086
[2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 103539567
4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965947
[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 62937884
[2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 63156183
[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103542149
[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 114016674
4-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136581186
1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 103539385
1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one
CID 168685445
(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 104959964

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine (CID 103530760) is [2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine is COC1CN(c2cc(CN)ccn2)CC1OC.
What is the InChIKey of [2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine?
The InChIKey is MRDWATKTDKITPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-10-7-15(8-11(10)17-2)12-5-9(6-13)3-4-14-12/h3-5,10-11H,6-8,13H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine?
[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 103530760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).