4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol

C12H25NO2 — CID 103699568

IUPAC4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCC(C)C1
InChIInChI=1S/C12H25NO2/c1-10-4-5-11(8-10)13-9-12(2,14)6-7-15-3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyVUUGOXPDBTYMSS-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds6

About 4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol

4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol (PubChem CID 103699568) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
PubChem CID103699568
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCC(C)C1
InChIInChI=1S/C12H25NO2/c1-10-4-5-11(8-10)13-9-12(2,14)6-7-15-3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyVUUGOXPDBTYMSS-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-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 4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol (CID 103699568) is 4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol is COCCC(C)(O)CNC1CCC(C)C1.
What is the InChIKey of 4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol?
The InChIKey is VUUGOXPDBTYMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10-4-5-11(8-10)13-9-12(2,14)6-7-15-3/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol?
4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol is sourced from PubChem (CID 103699568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).