1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine

C12H21N3O — CID 106575804

IUPAC1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1CCC1CC1
InChIInChI=1S/C12H21N3O/c1-10-9-15(7-5-11-3-4-11)12(14-10)13-6-8-16-2/h9,11H,3-8H2,1-2H3,(H,13,14)
InChIKeyUXVIVAQLIFDJQJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.05
Rot. Bonds7

About 1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine

1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106575804) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106575804
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1CCC1CC1
InChIInChI=1S/C12H21N3O/c1-10-9-15(7-5-11-3-4-11)12(14-10)13-6-8-16-2/h9,11H,3-8H2,1-2H3,(H,13,14)
InChIKeyUXVIVAQLIFDJQJ-UHFFFAOYSA-N
XLogP2.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.05
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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Related Compounds

3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidine
CID 91911381
4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine
CID 90488066
2-(2-Cyclobutyl-5-methyl-1H-imidazol-1-YL)ethan-1-amine
CID 91911587
N-isobutyl-N'-{2-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]ethyl}urea
CID 91923946
2-[1-(Cyclopropylmethyl)-5-methyl-1H-imidazol-2-YL]ethan-1-amine
CID 86820597
1-(2-Methoxyethyl)-5-methyl-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820584
1-(3-Methoxypropyl)-5-methyl-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820588
4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine
CID 86820593
2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethan-1-amine
CID 86820595
4-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidine
CID 90488052
1-(cyclopropylmethyl)-5-methyl-2-(tetrahydro-1H-pyrrol-3-ylmethyl)-1H-imidazole
CID 90488067
1-Cyclopropyl-5-methyl-2-[(pyrrolidin-3-YL)methyl]-1H-imidazole
CID 90488069

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106575804) is 1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCNc1nc(C)cn1CCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is UXVIVAQLIFDJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-9-15(7-5-11-3-4-11)12(14-10)13-6-8-16-2/h9,11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106575804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).