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

C10H17NOS — CID 107558011

IUPACN-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COC)s1
InChIInChI=1S/C10H17NOS/c1-3-6-11-7-9-4-5-10(13-9)8-12-2/h4-5,11H,3,6-8H2,1-2H3
InChIKeyCNOXLWNFRIQMOO-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.39
Rot. Bonds6

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

N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107558011) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID107558011
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameN-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COC)s1
InChIInChI=1S/C10H17NOS/c1-3-6-11-7-9-4-5-10(13-9)8-12-2/h4-5,11H,3,6-8H2,1-2H3
InChIKeyCNOXLWNFRIQMOO-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267
N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 114208623
N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559158
1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556235
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558843
1-cyclohexyl-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]methanamine
CID 53273821
N-[[5-[(4-bromo-3-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559225
N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107558967
N-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558683
N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107555665
N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine
CID 107555603

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine (CID 107558011) is N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COC)s1.
What is the InChIKey of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is CNOXLWNFRIQMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-6-11-7-9-4-5-10(13-9)8-12-2/h4-5,11H,3,6-8H2,1-2H3.
What are the key properties of N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107558011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).