1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine

C11H18N2 — CID 88977966

IUPAC1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine
SMILESCCc1ccc(C(C)N(C)C)cn1
InChIInChI=1S/C11H18N2/c1-5-11-7-6-10(8-12-11)9(2)13(3)4/h6-9H,5H2,1-4H3
InChIKeyIQULWDFHGIUJND-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.27
Rot. Bonds3

About 1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine

1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine (PubChem CID 88977966) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine
PubChem CID88977966
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine
SMILESCCc1ccc(C(C)N(C)C)cn1
InChIInChI=1S/C11H18N2/c1-5-11-7-6-10(8-12-11)9(2)13(3)4/h6-9H,5H2,1-4H3
InChIKeyIQULWDFHGIUJND-UHFFFAOYSA-N
XLogP2.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine?
The IUPAC name of 1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine (CID 88977966) is 1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine is CCc1ccc(C(C)N(C)C)cn1.
What is the InChIKey of 1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine?
The InChIKey is IQULWDFHGIUJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-11-7-6-10(8-12-11)9(2)13(3)4/h6-9H,5H2,1-4H3.
What are the key properties of 1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine?
1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine has a molecular weight of 178.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-3-pyridinyl)-N,N-dimethylethanamine is sourced from PubChem (CID 88977966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).