5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

C16H28N4O — CID 80638766

IUPAC5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESCOCCNCc1ccc(N(C)CCN2CCCC2)nc1
InChIInChI=1S/C16H28N4O/c1-19(10-11-20-8-3-4-9-20)16-6-5-15(14-18-16)13-17-7-12-21-2/h5-6,14,17H,3-4,7-13H2,1-2H3
InChIKeyPEOQONNXYSEUPS-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.35
Rot. Bonds9

About 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (PubChem CID 80638766) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
PubChem CID80638766
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESCOCCNCc1ccc(N(C)CCN2CCCC2)nc1
InChIInChI=1S/C16H28N4O/c1-19(10-11-20-8-3-4-9-20)16-6-5-15(14-18-16)13-17-7-12-21-2/h5-6,14,17H,3-4,7-13H2,1-2H3
InChIKeyPEOQONNXYSEUPS-UHFFFAOYSA-N
XLogP1.35
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (CID 80638766) is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is COCCNCc1ccc(N(C)CCN2CCCC2)nc1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The InChIKey is PEOQONNXYSEUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-19(10-11-20-8-3-4-9-20)16-6-5-15(14-18-16)13-17-7-12-21-2/h5-6,14,17H,3-4,7-13H2,1-2H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 80638766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).