2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine

C10H17N3O — CID 60683941

IUPAC2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine
SMILESc1cn(CCNCC2CCCO2)cn1
InChIInChI=1S/C10H17N3O/c1-2-10(14-7-1)8-11-3-5-13-6-4-12-9-13/h4,6,9-11H,1-3,5,7-8H2
InChIKeyJQYHTYQNNUIOCW-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.65
Rot. Bonds5

About 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine

2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 60683941) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID60683941
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine
SMILESc1cn(CCNCC2CCCO2)cn1
InChIInChI=1S/C10H17N3O/c1-2-10(14-7-1)8-11-3-5-13-6-4-12-9-13/h4,6,9-11H,1-3,5,7-8H2
InChIKeyJQYHTYQNNUIOCW-UHFFFAOYSA-N
XLogP0.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.65
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 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine (CID 60683941) is 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine is c1cn(CCNCC2CCCO2)cn1.
What is the InChIKey of 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is JQYHTYQNNUIOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-10(14-7-1)8-11-3-5-13-6-4-12-9-13/h4,6,9-11H,1-3,5,7-8H2.
What are the key properties of 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine?
2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 195.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 60683941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).