N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine

C6H13N3O — CID 55218999

IUPACN-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCOCCNC1=NCCN1
InChIInChI=1S/C6H13N3O/c1-10-5-4-9-6-7-2-3-8-6/h2-5H2,1H3,(H2,7,8,9)
InChIKeyUBIIHCZWRVHLFG-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.82
Rot. Bonds3

About N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 55218999) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID55218999
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameN-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCOCCNC1=NCCN1
InChIInChI=1S/C6H13N3O/c1-10-5-4-9-6-7-2-3-8-6/h2-5H2,1H3,(H2,7,8,9)
InChIKeyUBIIHCZWRVHLFG-UHFFFAOYSA-N
XLogP-0.82
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 55218999) is N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine is COCCNC1=NCCN1.
What is the InChIKey of N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is UBIIHCZWRVHLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-10-5-4-9-6-7-2-3-8-6/h2-5H2,1H3,(H2,7,8,9).
What are the key properties of N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 143.19 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 55218999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).