1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol

C11H23NO3 — CID 81094787

IUPAC1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol
SMILESCCOC(CNCC(O)C1CC1)OCC
InChIInChI=1S/C11H23NO3/c1-3-14-11(15-4-2)8-12-7-10(13)9-5-6-9/h9-13H,3-8H2,1-2H3
InChIKeyRPTVFRJVIJBKDE-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.75
Rot. Bonds9

About 1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol

1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol (PubChem CID 81094787) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol
PubChem CID81094787
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol
SMILESCCOC(CNCC(O)C1CC1)OCC
InChIInChI=1S/C11H23NO3/c1-3-14-11(15-4-2)8-12-7-10(13)9-5-6-9/h9-13H,3-8H2,1-2H3
InChIKeyRPTVFRJVIJBKDE-UHFFFAOYSA-N
XLogP0.75
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
CID 103251512
1-cyclopropyl-2-(2,2-difluoroethylamino)ethanol
CID 63298404
1-cyclopropyl-2-(prop-2-ynylamino)ethanol
CID 63299078
2-cyclopropyl-2-ethoxy-N-methylethanamine
CID 130591131
2-(cyclobutylmethylamino)-1-cyclopropylethanol
CID 65458042
2-cyclopropyl-2-ethoxyethanol
CID 126970888
3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-methylpropanenitrile
CID 63296489
3-(2,2-diethoxyethylamino)-2-hydroxypropanamide
CID 106174370
2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 79548553
1-cyclopropyl-2-[(1-methylpiperidin-4-yl)methylamino]ethanol
CID 63295066
1-cyclopropyl-2-(pentan-3-ylamino)ethanol
CID 63294536
N-(2,2-diethoxyethyl)-2-methoxypropan-1-amine
CID 102697934

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol (CID 81094787) is 1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol is CCOC(CNCC(O)C1CC1)OCC.
What is the InChIKey of 1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol?
The InChIKey is RPTVFRJVIJBKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-14-11(15-4-2)8-12-7-10(13)9-5-6-9/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol?
1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol has a molecular weight of 217.31 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol is sourced from PubChem (CID 81094787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).