N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine

C15H27NO3S — CID 107559260

IUPACN-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCOCc1ccc(CNC(C)(C)C)s1
InChIInChI=1S/C15H27NO3S/c1-15(2,3)16-11-13-5-6-14(20-13)12-19-10-9-18-8-7-17-4/h5-6,16H,7-12H2,1-4H3
InChIKeyXXJRWHHEFUQKRZ-UHFFFAOYSA-N
MW301.45 g/mol
LogP2.82
Rot. Bonds10

About N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107559260) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107559260
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC NameN-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCOCc1ccc(CNC(C)(C)C)s1
InChIInChI=1S/C15H27NO3S/c1-15(2,3)16-11-13-5-6-14(20-13)12-19-10-9-18-8-7-17-4/h5-6,16H,7-12H2,1-4H3
InChIKeyXXJRWHHEFUQKRZ-UHFFFAOYSA-N
XLogP2.82
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 103401859
N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine
CID 107559237
2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558356
2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558229
2-methyl-N-[[5-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559039
N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62455984
N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 104567615
N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 103409048
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559240
2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80733906
N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62440911
N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
CID 107558120

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine (CID 107559260) is N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine is COCCOCCOCc1ccc(CNC(C)(C)C)s1.
What is the InChIKey of N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is XXJRWHHEFUQKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-15(2,3)16-11-13-5-6-14(20-13)12-19-10-9-18-8-7-17-4/h5-6,16H,7-12H2,1-4H3.
What are the key properties of N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 301.45 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107559260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).