2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine

C9H20N5O+ — CID 88502722

IUPAC2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine
SMILESNCC[N+]1(C2=NCC(N)N2)CCOCC1
InChIInChI=1S/C9H20N5O/c10-1-2-14(3-5-15-6-4-14)9-12-7-8(11)13-9/h8H,1-7,10-11H2,(H,12,13)/q+1
InChIKeyOSPNBJPVVMLJFA-UHFFFAOYSA-N
MW214.29 g/mol
LogP-1.96
Rot. Bonds2

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

2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine (PubChem CID 88502722) 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-dihydro-1H-imidazol-5-amine.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine
PubChem CID88502722
Molecular FormulaC9H20N5O+
Molecular Weight214.29 g/mol
Exact Mass214.17
IUPAC Name2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine
SMILESNCC[N+]1(C2=NCC(N)N2)CCOCC1
InChIInChI=1S/C9H20N5O/c10-1-2-14(3-5-15-6-4-14)9-12-7-8(11)13-9/h8H,1-7,10-11H2,(H,12,13)/q+1
InChIKeyOSPNBJPVVMLJFA-UHFFFAOYSA-N
XLogP-1.96
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine?
The IUPAC name of 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine (CID 88502722) is 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine.
What is the SMILES notation for 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine?
The canonical SMILES for 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine is NCC[N+]1(C2=NCC(N)N2)CCOCC1.
What is the InChIKey of 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine?
The InChIKey is OSPNBJPVVMLJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N5O/c10-1-2-14(3-5-15-6-4-14)9-12-7-8(11)13-9/h8H,1-7,10-11H2,(H,12,13)/q+1.
What are the key properties of 2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine?
2-[4-(2-aminoethyl)morpholin-4-ium-4-yl]-4,5-dihydro-1H-imidazol-5-amine has a molecular weight of 214.29 g/mol, XLogP of -1.96, 2 rotatable bonds, 3 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-dihydro-1H-imidazol-5-amine is sourced from PubChem (CID 88502722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).