2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol

C11H19N3O — CID 114531207

IUPAC2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
SMILESCn1ccnc1CCN(CCO)C1CC1
InChIInChI=1S/C11H19N3O/c1-13-7-5-12-11(13)4-6-14(8-9-15)10-2-3-10/h5,7,10,15H,2-4,6,8-9H2,1H3
InChIKeyUMJJIOBASTWLAN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.42
Rot. Bonds6

About 2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol

2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol (PubChem CID 114531207) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
PubChem CID114531207
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
SMILESCn1ccnc1CCN(CCO)C1CC1
InChIInChI=1S/C11H19N3O/c1-13-7-5-12-11(13)4-6-14(8-9-15)10-2-3-10/h5,7,10,15H,2-4,6,8-9H2,1H3
InChIKeyUMJJIOBASTWLAN-UHFFFAOYSA-N
XLogP0.42
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol (CID 114531207) is 2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol is Cn1ccnc1CCN(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol?
The InChIKey is UMJJIOBASTWLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-7-5-12-11(13)4-6-14(8-9-15)10-2-3-10/h5,7,10,15H,2-4,6,8-9H2,1H3.
What are the key properties of 2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol?
2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol has a molecular weight of 209.29 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol is sourced from PubChem (CID 114531207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).