2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine

C9H16N2 — CID 129059922

IUPAC2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=CC=CCN1
InChIInChI=1S/C9H16N2/c1-11(2)8-6-9-5-3-4-7-10-9/h3-5,10H,6-8H2,1-2H3
InChIKeyODBXVRCXVBVPKY-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.98
Rot. Bonds3

About 2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine

2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine (PubChem CID 129059922) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine
PubChem CID129059922
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=CC=CCN1
InChIInChI=1S/C9H16N2/c1-11(2)8-6-9-5-3-4-7-10-9/h3-5,10H,6-8H2,1-2H3
InChIKeyODBXVRCXVBVPKY-UHFFFAOYSA-N
XLogP0.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine (CID 129059922) is 2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine is CN(C)CCC1=CC=CCN1.
What is the InChIKey of 2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine?
The InChIKey is ODBXVRCXVBVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-11(2)8-6-9-5-3-4-7-10-9/h3-5,10H,6-8H2,1-2H3.
What are the key properties of 2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine?
2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine has a molecular weight of 152.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-6-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 129059922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).