3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine

C12H20N4O — CID 62761438

IUPAC3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine
SMILESc1cnc(CNCCCN2CCOCC2)cn1
InChIInChI=1S/C12H20N4O/c1(5-16-6-8-17-9-7-16)2-13-10-12-11-14-3-4-15-12/h3-4,11,13H,1-2,5-10H2
InChIKeyDWSCTIKMEKHWFH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.29
Rot. Bonds6

About 3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine

3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine (PubChem CID 62761438) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine
PubChem CID62761438
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine
SMILESc1cnc(CNCCCN2CCOCC2)cn1
InChIInChI=1S/C12H20N4O/c1(5-16-6-8-17-9-7-16)2-13-10-12-11-14-3-4-15-12/h3-4,11,13H,1-2,5-10H2
InChIKeyDWSCTIKMEKHWFH-UHFFFAOYSA-N
XLogP0.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine (CID 62761438) is 3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine is c1cnc(CNCCCN2CCOCC2)cn1.
What is the InChIKey of 3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine?
The InChIKey is DWSCTIKMEKHWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1(5-16-6-8-17-9-7-16)2-13-10-12-11-14-3-4-15-12/h3-4,11,13H,1-2,5-10H2.
What are the key properties of 3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine?
3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine has a molecular weight of 236.32 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(pyrazin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62761438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).