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

C16H29NOS — CID 80729172

IUPAC2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCCCCOCc1cc(CNC(C)(C)C)sc1C
InChIInChI=1S/C16H29NOS/c1-6-7-8-9-18-12-14-10-15(19-13(14)2)11-17-16(3,4)5/h10,17H,6-9,11-12H2,1-5H3
InChIKeyBETGDGXQWVYBAW-UHFFFAOYSA-N
MW283.48 g/mol
LogP4.65
Rot. Bonds8

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

2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 80729172) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID80729172
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCCCCOCc1cc(CNC(C)(C)C)sc1C
InChIInChI=1S/C16H29NOS/c1-6-7-8-9-18-12-14-10-15(19-13(14)2)11-17-16(3,4)5/h10,17H,6-9,11-12H2,1-5H3
InChIKeyBETGDGXQWVYBAW-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 54.65
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

2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80733906
2-methyl-N-[[5-methyl-4-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729153
N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80719995
[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine
CID 80729173
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-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 55077622
N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80734057
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
3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine
CID 80729188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine (CID 80729172) is 2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine is CCCCCOCc1cc(CNC(C)(C)C)sc1C.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is BETGDGXQWVYBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-6-7-8-9-18-12-14-10-15(19-13(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-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 283.48 g/mol, XLogP of 4.65, 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-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80729172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).