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

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Related Compounds

1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone
CID 107268371
2-methyl-3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
CID 107270731
3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol
CID 114078738
3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 103904879
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol
CID 107270894
1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine
CID 103903194
1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
CID 103903498
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
CID 106101003
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106101170

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).