2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol

C13H26N2O2 — CID 107270657

IUPAC2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNC1CCCN(C)CC1
InChIInChI=1S/C13H26N2O2/c1-11-13(16,6-9-17-11)10-14-12-4-3-7-15(2)8-5-12/h11-12,14,16H,3-10H2,1-2H3
InChIKeyROEWIRHQUOOKMD-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.60
Rot. Bonds3

About 2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol

2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 107270657) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
PubChem CID107270657
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNC1CCCN(C)CC1
InChIInChI=1S/C13H26N2O2/c1-11-13(16,6-9-17-11)10-14-12-4-3-7-15(2)8-5-12/h11-12,14,16H,3-10H2,1-2H3
InChIKeyROEWIRHQUOOKMD-UHFFFAOYSA-N
XLogP0.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-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 2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol (CID 107270657) is 2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol is CC1OCCC1(O)CNC1CCCN(C)CC1.
What is the InChIKey of 2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is ROEWIRHQUOOKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-13(16,6-9-17-11)10-14-12-4-3-7-15(2)8-5-12/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol?
2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 242.36 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 107270657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).