2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol

C10H22N2O2 — CID 149151320

IUPAC2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol
SMILESOCCNCCCN(CCO)C1CC1
InChIInChI=1S/C10H22N2O2/c13-8-5-11-4-1-6-12(7-9-14)10-2-3-10/h10-11,13-14H,1-9H2
InChIKeyJFHUJLOWKQNDBG-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.58
Rot. Bonds9

About 2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol

2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol (PubChem CID 149151320) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol
PubChem CID149151320
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol
SMILESOCCNCCCN(CCO)C1CC1
InChIInChI=1S/C10H22N2O2/c13-8-5-11-4-1-6-12(7-9-14)10-2-3-10/h10-11,13-14H,1-9H2
InChIKeyJFHUJLOWKQNDBG-UHFFFAOYSA-N
XLogP-0.58
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
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-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol?
The IUPAC name of 2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol (CID 149151320) is 2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol.
What is the SMILES notation for 2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol?
The canonical SMILES for 2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol is OCCNCCCN(CCO)C1CC1.
What is the InChIKey of 2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol?
The InChIKey is JFHUJLOWKQNDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c13-8-5-11-4-1-6-12(7-9-14)10-2-3-10/h10-11,13-14H,1-9H2.
What are the key properties of 2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol?
2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol has a molecular weight of 202.30 g/mol, XLogP of -0.58, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol is sourced from PubChem (CID 149151320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).