N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine

C15H25NO2S — CID 107558843

IUPACN-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCC2CCOCC2)s1
InChIInChI=1S/C15H25NO2S/c1-2-7-16-10-14-3-4-15(19-14)12-18-11-13-5-8-17-9-6-13/h3-4,13,16H,2,5-12H2,1H3
InChIKeyQFPKOXWDKHRBQV-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.19
Rot. Bonds8

About N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine

N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107558843) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID107558843
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCC2CCOCC2)s1
InChIInChI=1S/C15H25NO2S/c1-2-7-16-10-14-3-4-15(19-14)12-18-11-13-5-8-17-9-6-13/h3-4,13,16H,2,5-12H2,1H3
InChIKeyQFPKOXWDKHRBQV-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241
N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558833
N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 114208623
1-[5-(cyclohexylmethoxymethyl)thiophen-2-yl]-N-methylmethanamine
CID 107558835
[5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine
CID 107558808
N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106092862
N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559158
N-[[5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62486908
N-[2-[4-(oxolan-3-ylmethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105350841
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine (CID 107558843) is N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COCC2CCOCC2)s1.
What is the InChIKey of N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is QFPKOXWDKHRBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-2-7-16-10-14-3-4-15(19-14)12-18-11-13-5-8-17-9-6-13/h3-4,13,16H,2,5-12H2,1H3.
What are the key properties of N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107558843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).