N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine

C17H32N2OS — CID 107559158

IUPACN-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCN(C(C)C)C(C)C)s1
InChIInChI=1S/C17H32N2OS/c1-6-9-18-12-16-7-8-17(21-16)13-20-11-10-19(14(2)3)15(4)5/h7-8,14-15,18H,6,9-13H2,1-5H3
InChIKeyZOGKPIYDBWCVQI-UHFFFAOYSA-N
MW312.52 g/mol
LogP3.88
Rot. Bonds11

About N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine

N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107559158) has the molecular formula C17H32N2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID107559158
Molecular FormulaC17H32N2OS
Molecular Weight312.52 g/mol
Exact Mass312.22
IUPAC NameN-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCN(C(C)C)C(C)C)s1
InChIInChI=1S/C17H32N2OS/c1-6-9-18-12-16-7-8-17(21-16)13-20-11-10-19(14(2)3)15(4)5/h7-8,14-15,18H,6,9-13H2,1-5H3
InChIKeyZOGKPIYDBWCVQI-UHFFFAOYSA-N
XLogP3.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 53.88
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-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267
N-[2-[[5-(methylaminomethyl)thiophen-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 107559157
N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 114208623
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-[[5-(3-methylbutoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558092
1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556235
N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558203
2-[5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]thiophen-2-yl]acetic acid
CID 82894031
N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558843
N-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558683
N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558214
N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine
CID 107556145

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine (CID 107559158) is N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COCCN(C(C)C)C(C)C)s1.
What is the InChIKey of N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is ZOGKPIYDBWCVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2OS/c1-6-9-18-12-16-7-8-17(21-16)13-20-11-10-19(14(2)3)15(4)5/h7-8,14-15,18H,6,9-13H2,1-5H3.
What are the key properties of N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 312.52 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107559158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).