N-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine

C7H15N3O — CID 18727976

IUPACN-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOCCNC1=NCCN1C
InChIInChI=1S/C7H15N3O/c1-10-5-3-8-7(10)9-4-6-11-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyKAJZNKQXALQHBI-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.48
Rot. Bonds3

About N-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine

N-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 18727976) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID18727976
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC NameN-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOCCNC1=NCCN1C
InChIInChI=1S/C7H15N3O/c1-10-5-3-8-7(10)9-4-6-11-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyKAJZNKQXALQHBI-UHFFFAOYSA-N
XLogP-0.48
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
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)-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine (CID 18727976) is N-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine is COCCNC1=NCCN1C.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is KAJZNKQXALQHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-10-5-3-8-7(10)9-4-6-11-2/h3-6H2,1-2H3,(H,8,9).
What are the key properties of N-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine?
N-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 157.22 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 18727976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).