2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine

C10H17N3O — CID 107236268

IUPAC2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESCC1(CNCCc2ncc[nH]2)COC1
InChIInChI=1S/C10H17N3O/c1-10(7-14-8-10)6-11-3-2-9-12-4-5-13-9/h4-5,11H,2-3,6-8H2,1H3,(H,12,13)
InChIKeyLQSMUEAUSZZVTN-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.58
Rot. Bonds5

About 2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine

2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine (PubChem CID 107236268) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
PubChem CID107236268
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESCC1(CNCCc2ncc[nH]2)COC1
InChIInChI=1S/C10H17N3O/c1-10(7-14-8-10)6-11-3-2-9-12-4-5-13-9/h4-5,11H,2-3,6-8H2,1H3,(H,12,13)
InChIKeyLQSMUEAUSZZVTN-UHFFFAOYSA-N
XLogP0.58
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The IUPAC name of 2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine (CID 107236268) is 2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine is CC1(CNCCc2ncc[nH]2)COC1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The InChIKey is LQSMUEAUSZZVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(7-14-8-10)6-11-3-2-9-12-4-5-13-9/h4-5,11H,2-3,6-8H2,1H3,(H,12,13).
What are the key properties of 2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine has a molecular weight of 195.27 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine is sourced from PubChem (CID 107236268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).