N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine

C14H23N3O — CID 86773952

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
SMILESCOCCN1CCC(CNc2cccc(C)n2)C1
InChIInChI=1S/C14H23N3O/c1-12-4-3-5-14(16-12)15-10-13-6-7-17(11-13)8-9-18-2/h3-5,13H,6-11H2,1-2H3,(H,15,16)
InChIKeyTUILGEREYSLOOE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.77
Rot. Bonds6

About N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine (PubChem CID 86773952) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
PubChem CID86773952
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
SMILESCOCCN1CCC(CNc2cccc(C)n2)C1
InChIInChI=1S/C14H23N3O/c1-12-4-3-5-14(16-12)15-10-13-6-7-17(11-13)8-9-18-2/h3-5,13H,6-11H2,1-2H3,(H,15,16)
InChIKeyTUILGEREYSLOOE-UHFFFAOYSA-N
XLogP1.77
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine (CID 86773952) is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine is COCCN1CCC(CNc2cccc(C)n2)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
The InChIKey is TUILGEREYSLOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-4-3-5-14(16-12)15-10-13-6-7-17(11-13)8-9-18-2/h3-5,13H,6-11H2,1-2H3,(H,15,16).
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 86773952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).