2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine

C9H20N5O+ — CID 19785393

IUPAC2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine
SMILESNCC[N+]1(C2=NCCN2N)CCOCC1
InChIInChI=1S/C9H20N5O/c10-1-4-14(5-7-15-8-6-14)9-12-2-3-13(9)11/h1-8,10-11H2/q+1
InChIKeyPULYXWWJPWRTLE-UHFFFAOYSA-N
MW214.29 g/mol
LogP-1.66
Rot. Bonds2

About 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine

2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine (PubChem CID 19785393) has the molecular formula C9H20N5O+ and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine
PubChem CID19785393
Molecular FormulaC9H20N5O+
Molecular Weight214.29 g/mol
Exact Mass214.17
IUPAC Name2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine
SMILESNCC[N+]1(C2=NCCN2N)CCOCC1
InChIInChI=1S/C9H20N5O/c10-1-4-14(5-7-15-8-6-14)9-12-2-3-13(9)11/h1-8,10-11H2/q+1
InChIKeyPULYXWWJPWRTLE-UHFFFAOYSA-N
XLogP-1.66
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine?
The IUPAC name of 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine (CID 19785393) is 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine.
What is the SMILES notation for 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine?
The canonical SMILES for 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine is NCC[N+]1(C2=NCCN2N)CCOCC1.
What is the InChIKey of 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine?
The InChIKey is PULYXWWJPWRTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N5O/c10-1-4-14(5-7-15-8-6-14)9-12-2-3-13(9)11/h1-8,10-11H2/q+1.
What are the key properties of 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine?
2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine has a molecular weight of 214.29 g/mol, XLogP of -1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine is sourced from PubChem (CID 19785393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).