N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine

C12H21NOS — CID 107558267

IUPACN-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCC)s1
InChIInChI=1S/C12H21NOS/c1-3-7-13-9-11-5-6-12(15-11)10-14-8-4-2/h5-6,13H,3-4,7-10H2,1-2H3
InChIKeyDWZWZFUJVXROPB-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.17
Rot. Bonds8

About N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine

N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107558267) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID107558267
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCC)s1
InChIInChI=1S/C12H21NOS/c1-3-7-13-9-11-5-6-12(15-11)10-14-8-4-2/h5-6,13H,3-4,7-10H2,1-2H3
InChIKeyDWZWZFUJVXROPB-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-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-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559158
N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 114208623
2-ethyl-5-(propoxymethyl)thiophene
CID 54508933
N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558843
N-[[5-(3-methylbutoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558092
N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558203
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
methyl 2-[5-[(3-propoxypropylamino)methyl]thiophen-2-yl]acetate
CID 82942790
N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558136
N-[[5-[(4-bromo-3-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559225
1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556235

Frequently Asked Questions

What is the IUPAC name of N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine (CID 107558267) is N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COCCC)s1.
What is the InChIKey of N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is DWZWZFUJVXROPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-7-13-9-11-5-6-12(15-11)10-14-8-4-2/h5-6,13H,3-4,7-10H2,1-2H3.
What are the key properties of N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107558267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).