N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine

C13H22N2OS — CID 66244987

IUPACN-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine
SMILESCNC1COCC1CN(C)C(C)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-10(13-5-4-6-17-13)15(3)7-11-8-16-9-12(11)14-2/h4-6,10-12,14H,7-9H2,1-3H3
InChIKeyXJPCTKQKRXLPNA-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine

N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine (PubChem CID 66244987) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine
PubChem CID66244987
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine
SMILESCNC1COCC1CN(C)C(C)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-10(13-5-4-6-17-13)15(3)7-11-8-16-9-12(11)14-2/h4-6,10-12,14H,7-9H2,1-3H3
InChIKeyXJPCTKQKRXLPNA-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 63715865
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616023
N-methyl-3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxan-4-amine
CID 103059500
N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine
CID 66259151
2,2-dimethyl-6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 79852664
4-(methylamino)-N-(2-methyl-1-thiophen-2-ylpropyl)oxolane-3-carboxamide
CID 66265401
N,4-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79486822
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 62428863
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089246
N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257620
4-[(N-ethylanilino)methyl]-N-methyloxolan-3-amine
CID 66246160
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine
CID 66244984

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine (CID 66244987) is N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine is CNC1COCC1CN(C)C(C)c1cccs1.
What is the InChIKey of N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine?
The InChIKey is XJPCTKQKRXLPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(13-5-4-6-17-13)15(3)7-11-8-16-9-12(11)14-2/h4-6,10-12,14H,7-9H2,1-3H3.
What are the key properties of N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine?
N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine has a molecular weight of 254.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66244987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).