2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine

C17H31NOS — CID 103285559

IUPAC2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCCC(C)COCc1cc(CNC(C)(C)C)sc1C
InChIInChI=1S/C17H31NOS/c1-7-8-13(2)11-19-12-15-9-16(20-14(15)3)10-18-17(4,5)6/h9,13,18H,7-8,10-12H2,1-6H3
InChIKeySDRMQFDJOTZMAL-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.90
Rot. Bonds8

About 2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 103285559) has the molecular formula C17H31NOS and a molecular weight of 297.51 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID103285559
Molecular FormulaC17H31NOS
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC Name2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCCC(C)COCc1cc(CNC(C)(C)C)sc1C
InChIInChI=1S/C17H31NOS/c1-7-8-13(2)11-19-12-15-9-16(20-14(15)3)10-18-17(4,5)6/h9,13,18H,7-8,10-12H2,1-6H3
InChIKeySDRMQFDJOTZMAL-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine (CID 103285559) is 2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine is CCCC(C)COCc1cc(CNC(C)(C)C)sc1C.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is SDRMQFDJOTZMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NOS/c1-7-8-13(2)11-19-12-15-9-16(20-14(15)3)10-18-17(4,5)6/h9,13,18H,7-8,10-12H2,1-6H3.
What are the key properties of 2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 297.51 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 103285559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).