2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol

C9H15N3O — CID 139558340

IUPAC2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol
SMILESOCCNCc1cnc(C2CC2)[nH]1
InChIInChI=1S/C9H15N3O/c13-4-3-10-5-8-6-11-9(12-8)7-1-2-7/h6-7,10,13H,1-5H2,(H,11,12)
InChIKeyYEZRHCDDLYWKAQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.37
Rot. Bonds5

About 2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol

2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol (PubChem CID 139558340) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol
PubChem CID139558340
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol
SMILESOCCNCc1cnc(C2CC2)[nH]1
InChIInChI=1S/C9H15N3O/c13-4-3-10-5-8-6-11-9(12-8)7-1-2-7/h6-7,10,13H,1-5H2,(H,11,12)
InChIKeyYEZRHCDDLYWKAQ-UHFFFAOYSA-N
XLogP0.37
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.37
H-Bond Donors ≤ 53
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-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol?
The IUPAC name of 2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol (CID 139558340) is 2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol?
The canonical SMILES for 2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol is OCCNCc1cnc(C2CC2)[nH]1.
What is the InChIKey of 2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol?
The InChIKey is YEZRHCDDLYWKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c13-4-3-10-5-8-6-11-9(12-8)7-1-2-7/h6-7,10,13H,1-5H2,(H,11,12).
What are the key properties of 2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol?
2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-1H-imidazol-5-yl)methylamino]ethanol is sourced from PubChem (CID 139558340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).