1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol

C17H25NO2 — CID 126839227

IUPAC1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol
SMILESCN(CC(O)CC1(O)CCC1)C1CCc2ccccc21
InChIInChI=1S/C17H25NO2/c1-18(12-14(19)11-17(20)9-4-10-17)16-8-7-13-5-2-3-6-15(13)16/h2-3,5-6,14,16,19-20H,4,7-12H2,1H3
InChIKeyWBHXJTZGXYEOBN-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.27
Rot. Bonds5

About 1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol

1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol (PubChem CID 126839227) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol
PubChem CID126839227
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol
SMILESCN(CC(O)CC1(O)CCC1)C1CCc2ccccc21
InChIInChI=1S/C17H25NO2/c1-18(12-14(19)11-17(20)9-4-10-17)16-8-7-13-5-2-3-6-15(13)16/h2-3,5-6,14,16,19-20H,4,7-12H2,1H3
InChIKeyWBHXJTZGXYEOBN-UHFFFAOYSA-N
XLogP2.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol?
The IUPAC name of 1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol (CID 126839227) is 1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol?
The canonical SMILES for 1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol is CN(CC(O)CC1(O)CCC1)C1CCc2ccccc21.
What is the InChIKey of 1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol?
The InChIKey is WBHXJTZGXYEOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18(12-14(19)11-17(20)9-4-10-17)16-8-7-13-5-2-3-6-15(13)16/h2-3,5-6,14,16,19-20H,4,7-12H2,1H3.
What are the key properties of 1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol?
1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-hydroxypropyl]cyclobutan-1-ol is sourced from PubChem (CID 126839227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).