N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine

C11H22N2 — CID 15289267

IUPACN,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
SMILESCCN(CC)CCC1=CCNCC1
InChIInChI=1S/C11H22N2/c1-3-13(4-2)10-7-11-5-8-12-9-6-11/h5,12H,3-4,6-10H2,1-2H3
InChIKeyXHAUEYRUPGKEHH-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds5

About N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine

N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine (PubChem CID 15289267) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
PubChem CID15289267
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
SMILESCCN(CC)CCC1=CCNCC1
InChIInChI=1S/C11H22N2/c1-3-13(4-2)10-7-11-5-8-12-9-6-11/h5,12H,3-4,6-10H2,1-2H3
InChIKeyXHAUEYRUPGKEHH-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine (CID 15289267) is N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine is CCN(CC)CCC1=CCNCC1.
What is the InChIKey of N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The InChIKey is XHAUEYRUPGKEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-13(4-2)10-7-11-5-8-12-9-6-11/h5,12H,3-4,6-10H2,1-2H3.
What are the key properties of N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine is sourced from PubChem (CID 15289267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).