2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol

C15H31NO3 — CID 106450690

IUPAC2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)COCCOCC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C15H31NO3/c1-12(2)9-18-7-8-19-11-15(10-17,14-5-6-14)16-13(3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyOIDXUHUBRPQCJB-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.81
Rot. Bonds11

About 2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 106450690) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol
PubChem CID106450690
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)COCCOCC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C15H31NO3/c1-12(2)9-18-7-8-19-11-15(10-17,14-5-6-14)16-13(3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyOIDXUHUBRPQCJB-UHFFFAOYSA-N
XLogP1.81
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol 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

2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805041
2-cyclopropyl-2-(methylamino)-3-(2-methylpropoxy)propan-1-ol
CID 64802778
2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 64804918
2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol
CID 114342729
2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106450721
2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64809774
2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
CID 64819239
3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64807100
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806021
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
2-cyclopropyl-2-(ethylamino)-3-heptoxypropan-1-ol
CID 64803350

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol (CID 106450690) is 2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol is CC(C)COCCOCC(CO)(NC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is OIDXUHUBRPQCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-12(2)9-18-7-8-19-11-15(10-17,14-5-6-14)16-13(3)4/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 1.81, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 106450690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).