N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine

C15H27N3 — CID 12058869

IUPACN-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cccc(CN(CC)CC)n1
InChIInChI=1S/C15H27N3/c1-5-17(6-2)12-14-10-9-11-15(16-14)13-18(7-3)8-4/h9-11H,5-8,12-13H2,1-4H3
InChIKeyUTXBUJCCOYHWNR-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.77
Rot. Bonds8

About N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine

N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine (PubChem CID 12058869) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine
PubChem CID12058869
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cccc(CN(CC)CC)n1
InChIInChI=1S/C15H27N3/c1-5-17(6-2)12-14-10-9-11-15(16-14)13-18(7-3)8-4/h9-11H,5-8,12-13H2,1-4H3
InChIKeyUTXBUJCCOYHWNR-UHFFFAOYSA-N
XLogP2.77
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine (CID 12058869) is N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine is CCN(CC)Cc1cccc(CN(CC)CC)n1.
What is the InChIKey of N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine?
The InChIKey is UTXBUJCCOYHWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-17(6-2)12-14-10-9-11-15(16-14)13-18(7-3)8-4/h9-11H,5-8,12-13H2,1-4H3.
What are the key properties of N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine?
N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine has a molecular weight of 249.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylaminomethyl)-2-pyridinyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 12058869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).