1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine

C17H28N4 — CID 83109204

IUPAC1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2CCN3CCCCC3C2)cn1
InChIInChI=1S/C17H28N4/c1-3-18-14(2)17-8-7-15(12-19-17)21-11-10-20-9-5-4-6-16(20)13-21/h7-8,12,14,16,18H,3-6,9-11,13H2,1-2H3
InChIKeyQAHXJPZHQUURJW-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.43
Rot. Bonds4

About 1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine

1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine (PubChem CID 83109204) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine
PubChem CID83109204
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2CCN3CCCCC3C2)cn1
InChIInChI=1S/C17H28N4/c1-3-18-14(2)17-8-7-15(12-19-17)21-11-10-20-9-5-4-6-16(20)13-21/h7-8,12,14,16,18H,3-6,9-11,13H2,1-2H3
InChIKeyQAHXJPZHQUURJW-UHFFFAOYSA-N
XLogP2.43
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine?
The IUPAC name of 1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine (CID 83109204) is 1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine is CCNC(C)c1ccc(N2CCN3CCCCC3C2)cn1.
What is the InChIKey of 1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine?
The InChIKey is QAHXJPZHQUURJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-18-14(2)17-8-7-15(12-19-17)21-11-10-20-9-5-4-6-16(20)13-21/h7-8,12,14,16,18H,3-6,9-11,13H2,1-2H3.
What are the key properties of 1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine?
1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine has a molecular weight of 288.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine is sourced from PubChem (CID 83109204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).