1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine

C13H21N3O — CID 106321981

IUPAC1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(c2ccc(OC)cn2)C1
InChIInChI=1S/C13H21N3O/c1-13(9-14-2)6-7-16(10-13)12-5-4-11(17-3)8-15-12/h4-5,8,14H,6-7,9-10H2,1-3H3
InChIKeyUQWGEBXXBXPCLL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.53
Rot. Bonds4

About 1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 106321981) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID106321981
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(c2ccc(OC)cn2)C1
InChIInChI=1S/C13H21N3O/c1-13(9-14-2)6-7-16(10-13)12-5-4-11(17-3)8-15-12/h4-5,8,14H,6-7,9-10H2,1-3H3
InChIKeyUQWGEBXXBXPCLL-UHFFFAOYSA-N
XLogP1.53
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321931
N-methyl-1-(3-methyl-1-pyridin-4-ylpyrrolidin-3-yl)methanamine
CID 106321908
8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 113236174
1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321701
1-[1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321805
5-methoxy-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 107143616
3-ethyl-1-(5-methoxy-2-pyridinyl)azetidin-3-amine
CID 106505258
1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol
CID 175660744
1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321819
1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine
CID 106321968
N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 106321862
N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106321729

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 106321981) is 1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1(C)CCN(c2ccc(OC)cn2)C1.
What is the InChIKey of 1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is UQWGEBXXBXPCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(9-14-2)6-7-16(10-13)12-5-4-11(17-3)8-15-12/h4-5,8,14H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106321981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).