5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine

C13H22N6O2 — CID 142885889

IUPAC5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine
SMILESNc1nc[nH]c1/C(=N\CN1CCOCC1)N1CCOCC1
InChIInChI=1S/C13H22N6O2/c14-12-11(15-9-16-12)13(19-3-7-21-8-4-19)17-10-18-1-5-20-6-2-18/h9H,1-8,10,14H2,(H,15,16)/b17-13+
InChIKeyXUGFWWWWEZRGGU-GHRIWEEISA-N
MW294.36 g/mol
LogP-0.64
Rot. Bonds3

About 5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine

5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine (PubChem CID 142885889) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine
PubChem CID142885889
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine
SMILESNc1nc[nH]c1/C(=N\CN1CCOCC1)N1CCOCC1
InChIInChI=1S/C13H22N6O2/c14-12-11(15-9-16-12)13(19-3-7-21-8-4-19)17-10-18-1-5-20-6-2-18/h9H,1-8,10,14H2,(H,15,16)/b17-13+
InChIKeyXUGFWWWWEZRGGU-GHRIWEEISA-N
XLogP-0.64
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine?
The IUPAC name of 5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine (CID 142885889) is 5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine.
What is the SMILES notation for 5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine?
The canonical SMILES for 5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine is Nc1nc[nH]c1/C(=N\CN1CCOCC1)N1CCOCC1.
What is the InChIKey of 5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine?
The InChIKey is XUGFWWWWEZRGGU-GHRIWEEISA-N. The full InChI is InChI=1S/C13H22N6O2/c14-12-11(15-9-16-12)13(19-3-7-21-8-4-19)17-10-18-1-5-20-6-2-18/h9H,1-8,10,14H2,(H,15,16)/b17-13+.
What are the key properties of 5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine?
5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine has a molecular weight of 294.36 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-C-morpholin-4-yl-N-(morpholin-4-ylmethyl)carbonimidoyl]-1H-imidazol-4-amine is sourced from PubChem (CID 142885889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).