N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine

C12H21N3O — CID 116719280

IUPACN-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine
SMILESCCCC(OC)C(NCC)c1cnccn1
InChIInChI=1S/C12H21N3O/c1-4-6-11(16-3)12(14-5-2)10-9-13-7-8-15-10/h7-9,11-12,14H,4-6H2,1-3H3
InChIKeyWZPPJFGMUOIIMS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.94
Rot. Bonds7

About N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine

N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine (PubChem CID 116719280) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine
PubChem CID116719280
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine
SMILESCCCC(OC)C(NCC)c1cnccn1
InChIInChI=1S/C12H21N3O/c1-4-6-11(16-3)12(14-5-2)10-9-13-7-8-15-10/h7-9,11-12,14H,4-6H2,1-3H3
InChIKeyWZPPJFGMUOIIMS-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine (CID 116719280) is N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine is CCCC(OC)C(NCC)c1cnccn1.
What is the InChIKey of N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine?
The InChIKey is WZPPJFGMUOIIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-11(16-3)12(14-5-2)10-9-13-7-8-15-10/h7-9,11-12,14H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine?
N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-1-pyrazin-2-ylpentan-1-amine is sourced from PubChem (CID 116719280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).