2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine

C10H22N5O+ — CID 19785413

IUPAC2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine
SMILESNCCC[N+]1(C2=NCCN2N)CCOCC1
InChIInChI=1S/C10H22N5O/c11-2-1-5-15(6-8-16-9-7-15)10-13-3-4-14(10)12/h1-9,11-12H2/q+1
InChIKeyZLJWWGRCMSUOBK-UHFFFAOYSA-N
MW228.32 g/mol
LogP-1.27
Rot. Bonds3

About 2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine

2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine (PubChem CID 19785413) has the molecular formula C10H22N5O+ and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine
PubChem CID19785413
Molecular FormulaC10H22N5O+
Molecular Weight228.32 g/mol
Exact Mass228.18
IUPAC Name2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine
SMILESNCCC[N+]1(C2=NCCN2N)CCOCC1
InChIInChI=1S/C10H22N5O/c11-2-1-5-15(6-8-16-9-7-15)10-13-3-4-14(10)12/h1-9,11-12H2/q+1
InChIKeyZLJWWGRCMSUOBK-UHFFFAOYSA-N
XLogP-1.27
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-1.27
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine?
The IUPAC name of 2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine (CID 19785413) is 2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine.
What is the SMILES notation for 2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine?
The canonical SMILES for 2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine is NCCC[N+]1(C2=NCCN2N)CCOCC1.
What is the InChIKey of 2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine?
The InChIKey is ZLJWWGRCMSUOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N5O/c11-2-1-5-15(6-8-16-9-7-15)10-13-3-4-14(10)12/h1-9,11-12H2/q+1.
What are the key properties of 2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine?
2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine has a molecular weight of 228.32 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)morpholin-4-ium-4-yl]-4,5-dihydroimidazol-1-amine is sourced from PubChem (CID 19785413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).