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

C16H29NO2S — CID 80733906

IUPAC2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCCOCCOCc1cc(CNC(C)(C)C)sc1C
InChIInChI=1S/C16H29NO2S/c1-6-7-18-8-9-19-12-14-10-15(20-13(14)2)11-17-16(3,4)5/h10,17H,6-9,11-12H2,1-5H3
InChIKeyNOWUZBAMZVWOCX-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.89
Rot. Bonds9

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

2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 80733906) has the molecular formula C16H29NO2S and a molecular weight of 299.48 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID80733906
Molecular FormulaC16H29NO2S
Molecular Weight299.48 g/mol
Exact Mass299.19
IUPAC Name2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCCOCCOCc1cc(CNC(C)(C)C)sc1C
InChIInChI=1S/C16H29NO2S/c1-6-7-18-8-9-19-12-14-10-15(20-13(14)2)11-17-16(3,4)5/h10,17H,6-9,11-12H2,1-5H3
InChIKeyNOWUZBAMZVWOCX-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.89
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

2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729172
2-methyl-N-[[5-methyl-4-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729153
N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80734057
2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 103285559
2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 102986908
N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80727929
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80727183
N-[[5-methyl-4-(3,3,3-trifluoropropoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 82957315
2,5-dimethyl-3-(propoxymethyl)thiophene
CID 174163703
N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80722903
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80720719
N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine (CID 80733906) is 2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine is CCCOCCOCc1cc(CNC(C)(C)C)sc1C.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is NOWUZBAMZVWOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2S/c1-6-7-18-8-9-19-12-14-10-15(20-13(14)2)11-17-16(3,4)5/h10,17H,6-9,11-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 299.48 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80733906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).