N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine

C11H20N2 — CID 21121676

IUPACN,N-diethyl-2-(2H-pyridin-1-yl)ethanamine
SMILESCCN(CC)CCN1C=CC=CC1
InChIInChI=1S/C11H20N2/c1-3-12(4-2)10-11-13-8-6-5-7-9-13/h5-8H,3-4,9-11H2,1-2H3
InChIKeyZKHYOHMYAUKZFQ-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.71
Rot. Bonds5

About N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine

N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine (PubChem CID 21121676) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2H-pyridin-1-yl)ethanamine
PubChem CID21121676
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN,N-diethyl-2-(2H-pyridin-1-yl)ethanamine
SMILESCCN(CC)CCN1C=CC=CC1
InChIInChI=1S/C11H20N2/c1-3-12(4-2)10-11-13-8-6-5-7-9-13/h5-8H,3-4,9-11H2,1-2H3
InChIKeyZKHYOHMYAUKZFQ-UHFFFAOYSA-N
XLogP1.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine (CID 21121676) is N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine is CCN(CC)CCN1C=CC=CC1.
What is the InChIKey of N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine?
The InChIKey is ZKHYOHMYAUKZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-12(4-2)10-11-13-8-6-5-7-9-13/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine?
N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine has a molecular weight of 180.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2H-pyridin-1-yl)ethanamine is sourced from PubChem (CID 21121676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).