N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine

C12H19NOS — CID 102840428

IUPACN-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccsc1C)C1OCCC1C
InChIInChI=1S/C12H19NOS/c1-8-4-6-14-12(8)11(13-3)10-5-7-15-9(10)2/h5,7-8,11-13H,4,6H2,1-3H3
InChIKeyXHFCQHHDKPLIJF-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.74
Rot. Bonds3

About N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine

N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine (PubChem CID 102840428) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine
PubChem CID102840428
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccsc1C)C1OCCC1C
InChIInChI=1S/C12H19NOS/c1-8-4-6-14-12(8)11(13-3)10-5-7-15-9(10)2/h5,7-8,11-13H,4,6H2,1-3H3
InChIKeyXHFCQHHDKPLIJF-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine 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-1-(2-methylcyclopentyl)-1-(2-methylthiophen-3-yl)methanamine
CID 107191644
1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115801211
N-methyl-1-(3-methyloxolan-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991316
1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102832026
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018242
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105032819
1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841400
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841672
[(3-bromothiophen-2-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105327960
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propoxyphenyl)methanamine
CID 105035833
1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115861419
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 114275397

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine (CID 102840428) is N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine is CNC(c1ccsc1C)C1OCCC1C.
What is the InChIKey of N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine?
The InChIKey is XHFCQHHDKPLIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-8-4-6-14-12(8)11(13-3)10-5-7-15-9(10)2/h5,7-8,11-13H,4,6H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine?
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine has a molecular weight of 225.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102840428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).