N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine

C11H18N4O — CID 83105613

IUPACN-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine
SMILESCCNCC1COCCN1c1cnccn1
InChIInChI=1S/C11H18N4O/c1-2-12-7-10-9-16-6-5-15(10)11-8-13-3-4-14-11/h3-4,8,10,12H,2,5-7,9H2,1H3
InChIKeyCRBHMTOTNVBBJD-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.29
Rot. Bonds4

About N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine

N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine (PubChem CID 83105613) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine
PubChem CID83105613
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine
SMILESCCNCC1COCCN1c1cnccn1
InChIInChI=1S/C11H18N4O/c1-2-12-7-10-9-16-6-5-15(10)11-8-13-3-4-14-11/h3-4,8,10,12H,2,5-7,9H2,1H3
InChIKeyCRBHMTOTNVBBJD-UHFFFAOYSA-N
XLogP0.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine (CID 83105613) is N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine is CCNCC1COCCN1c1cnccn1.
What is the InChIKey of N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine?
The InChIKey is CRBHMTOTNVBBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-12-7-10-9-16-6-5-15(10)11-8-13-3-4-14-11/h3-4,8,10,12H,2,5-7,9H2,1H3.
What are the key properties of N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine?
N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine has a molecular weight of 222.29 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine is sourced from PubChem (CID 83105613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).