2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine

C12H21NOS — CID 82710610

IUPAC2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)CONC(c1cccs1)C(C)C
InChIInChI=1S/C12H21NOS/c1-9(2)8-14-13-12(10(3)4)11-6-5-7-15-11/h5-7,9-10,12-13H,8H2,1-4H3
InChIKeyJIKMROTWHOUOCO-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.62
Rot. Bonds6

About 2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine

2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine (PubChem CID 82710610) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine
PubChem CID82710610
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)CONC(c1cccs1)C(C)C
InChIInChI=1S/C12H21NOS/c1-9(2)8-14-13-12(10(3)4)11-6-5-7-15-11/h5-7,9-10,12-13H,8H2,1-4H3
InChIKeyJIKMROTWHOUOCO-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-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-(2-methylpropoxy)-1-thiophen-2-ylethanamine
CID 82709088
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 64851570
1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine
CID 115889318
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 112604514
methyl 2-bromo-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanoate
CID 103244670
2-propan-2-ylthiophene
CID 178128598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine (CID 82710610) is 2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine is CC(C)CONC(c1cccs1)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is JIKMROTWHOUOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-9(2)8-14-13-12(10(3)4)11-6-5-7-15-11/h5-7,9-10,12-13H,8H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropoxy)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 82710610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).