2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine

C12H22N4O — CID 114717654

IUPAC2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1CCCN1CCOCC1
InChIInChI=1S/C12H22N4O/c13-3-2-12-10-14-11-16(12)5-1-4-15-6-8-17-9-7-15/h10-11H,1-9,13H2
InChIKeyAUHIOVVNJYUUES-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.11
Rot. Bonds6

About 2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine

2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine (PubChem CID 114717654) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine
PubChem CID114717654
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1CCCN1CCOCC1
InChIInChI=1S/C12H22N4O/c13-3-2-12-10-14-11-16(12)5-1-4-15-6-8-17-9-7-15/h10-11H,1-9,13H2
InChIKeyAUHIOVVNJYUUES-UHFFFAOYSA-N
XLogP0.11
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine (CID 114717654) is 2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine is NCCc1cncn1CCCN1CCOCC1.
What is the InChIKey of 2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine?
The InChIKey is AUHIOVVNJYUUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c13-3-2-12-10-14-11-16(12)5-1-4-15-6-8-17-9-7-15/h10-11H,1-9,13H2.
What are the key properties of 2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine?
2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114717654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).