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

C15H27NOS — CID 114208623

IUPACN-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCC(CC)CC)s1
InChIInChI=1S/C15H27NOS/c1-4-9-16-10-14-7-8-15(18-14)12-17-11-13(5-2)6-3/h7-8,13,16H,4-6,9-12H2,1-3H3
InChIKeyMYVVWZDAWXNZPI-UHFFFAOYSA-N
MW269.45 g/mol
LogP4.20
Rot. Bonds10

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

N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 114208623) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID114208623
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC NameN-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCC(CC)CC)s1
InChIInChI=1S/C15H27NOS/c1-4-9-16-10-14-7-8-15(18-14)12-17-11-13(5-2)6-3/h7-8,13,16H,4-6,9-12H2,1-3H3
InChIKeyMYVVWZDAWXNZPI-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 54.20
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-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559158
N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559170
N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558843
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-(3-methylbutoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558092
N-[[5-[(4-bromo-3-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559225
N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558203
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine (CID 114208623) is N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COCC(CC)CC)s1.
What is the InChIKey of N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is MYVVWZDAWXNZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-4-9-16-10-14-7-8-15(18-14)12-17-11-13(5-2)6-3/h7-8,13,16H,4-6,9-12H2,1-3H3.
What are the key properties of N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 269.45 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethylbutoxymethyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 114208623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).