[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine

C14H23N3O — CID 81050953

IUPAC[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine
SMILESCc1cc(OCCN2CCCC2)c(CN)c(C)n1
InChIInChI=1S/C14H23N3O/c1-11-9-14(13(10-15)12(2)16-11)18-8-7-17-5-3-4-6-17/h9H,3-8,10,15H2,1-2H3
InChIKeyLZWCOJHDHOTWBZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.63
Rot. Bonds5

About [2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine

[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine (PubChem CID 81050953) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine
PubChem CID81050953
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine
SMILESCc1cc(OCCN2CCCC2)c(CN)c(C)n1
InChIInChI=1S/C14H23N3O/c1-11-9-14(13(10-15)12(2)16-11)18-8-7-17-5-3-4-6-17/h9H,3-8,10,15H2,1-2H3
InChIKeyLZWCOJHDHOTWBZ-UHFFFAOYSA-N
XLogP1.63
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine (CID 81050953) is [2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine is Cc1cc(OCCN2CCCC2)c(CN)c(C)n1.
What is the InChIKey of [2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine?
The InChIKey is LZWCOJHDHOTWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-9-14(13(10-15)12(2)16-11)18-8-7-17-5-3-4-6-17/h9H,3-8,10,15H2,1-2H3.
What are the key properties of [2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine?
[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 81050953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).