1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol

C16H33NO2 — CID 103921361

IUPAC1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C16H33NO2/c1-7-8-16(6,18)11-17-13-9-14(15(13,4)5)19-10-12(2)3/h12-14,17-18H,7-11H2,1-6H3
InChIKeyIPUKCRLXKFQLED-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.97
Rot. Bonds8

About 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol

1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol (PubChem CID 103921361) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol
PubChem CID103921361
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C16H33NO2/c1-7-8-16(6,18)11-17-13-9-14(15(13,4)5)19-10-12(2)3/h12-14,17-18H,7-11H2,1-6H3
InChIKeyIPUKCRLXKFQLED-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-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-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol (CID 103921361) is 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol is CCCC(C)(O)CNC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol?
The InChIKey is IPUKCRLXKFQLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-7-8-16(6,18)11-17-13-9-14(15(13,4)5)19-10-12(2)3/h12-14,17-18H,7-11H2,1-6H3.
What are the key properties of 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol?
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 103921361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).