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

C14H26N2OS — CID 107556235

IUPAC1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCCNCc1ccc(CN(C)C(C)COC)s1
InChIInChI=1S/C14H26N2OS/c1-5-8-15-9-13-6-7-14(18-13)10-16(3)12(2)11-17-4/h6-7,12,15H,5,8-11H2,1-4H3
InChIKeyHLFNVGLKHNBOMK-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.71
Rot. Bonds9

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

1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107556235) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID107556235
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCCNCc1ccc(CN(C)C(C)COC)s1
InChIInChI=1S/C14H26N2OS/c1-5-8-15-9-13-6-7-14(18-13)10-16(3)12(2)11-17-4/h6-7,12,15H,5,8-11H2,1-4H3
InChIKeyHLFNVGLKHNBOMK-UHFFFAOYSA-N
XLogP2.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.71
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

1-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556231
N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine
CID 107556145
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 107556230
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine
CID 107555759
N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559158
N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62283074
N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 80728044
N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 114208623
N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine
CID 107555603
N-ethyl-2-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]prop-2-en-1-amine
CID 107555698

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine (CID 107556235) is 1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine is CCCNCc1ccc(CN(C)C(C)COC)s1.
What is the InChIKey of 1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is HLFNVGLKHNBOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-8-15-9-13-6-7-14(18-13)10-16(3)12(2)11-17-4/h6-7,12,15H,5,8-11H2,1-4H3.
What are the key properties of 1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine?
1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 270.44 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107556235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).