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

C18H33NOS — CID 107558196

IUPAC2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCCCCC(C)OCc1ccc(CNCC(C)C)s1
InChIInChI=1S/C18H33NOS/c1-5-6-7-8-9-16(4)20-14-18-11-10-17(21-18)13-19-12-15(2)3/h10-11,15-16,19H,5-9,12-14H2,1-4H3
InChIKeyARYSLEJGPCJVSK-UHFFFAOYSA-N
MW311.53 g/mol
LogP5.37
Rot. Bonds12

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

2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107558196) has the molecular formula C18H33NOS and a molecular weight of 311.53 g/mol. Its IUPAC name is 2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID107558196
Molecular FormulaC18H33NOS
Molecular Weight311.53 g/mol
Exact Mass311.23
IUPAC Name2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCCCCC(C)OCc1ccc(CNCC(C)C)s1
InChIInChI=1S/C18H33NOS/c1-5-6-7-8-9-16(4)20-14-18-11-10-17(21-18)13-19-12-15(2)3/h10-11,15-16,19H,5-9,12-14H2,1-4H3
InChIKeyARYSLEJGPCJVSK-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558203
2-bromo-5-(octan-2-yloxymethyl)thiophene
CID 63456546
N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine
CID 63506911
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558452
N-[[5-methyl-4-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80720806
2-methyl-N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107557958
5-(octan-2-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774300
2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 102986816
2-methyl-N-[(5-octan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
CID 80623930
N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine
CID 107558021
5-(octan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608767
N-[[5-[(3,5-difluorophenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558865

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine (CID 107558196) is 2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine is CCCCCCC(C)OCc1ccc(CNCC(C)C)s1.
What is the InChIKey of 2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is ARYSLEJGPCJVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NOS/c1-5-6-7-8-9-16(4)20-14-18-11-10-17(21-18)13-19-12-15(2)3/h10-11,15-16,19H,5-9,12-14H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 311.53 g/mol, XLogP of 5.37, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107558196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).