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

C16H29NOS — CID 102986908

IUPAC2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCCC(C)OCc1cc(CNC(C)(C)C)sc1C
InChIInChI=1S/C16H29NOS/c1-7-8-12(2)18-11-14-9-15(19-13(14)3)10-17-16(4,5)6/h9,12,17H,7-8,10-11H2,1-6H3
InChIKeyVJZHDIZHKUPCHS-UHFFFAOYSA-N
MW283.48 g/mol
LogP4.65
Rot. Bonds7

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

2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 102986908) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID102986908
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCCCC(C)OCc1cc(CNC(C)(C)C)sc1C
InChIInChI=1S/C16H29NOS/c1-7-8-12(2)18-11-14-9-15(19-13(14)3)10-17-16(4,5)6/h9,12,17H,7-8,10-11H2,1-6H3
InChIKeyVJZHDIZHKUPCHS-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-methyl-N-[[5-methyl-4-(2-methylpentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 103285559
2-methyl-N-[[5-methyl-4-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729153
2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80733906
2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729172
2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 102987023
N-[[5-methyl-4-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80720806
N-[[5-methyl-4-(octan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80719992
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-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80728940
5-methyl-4-(pentan-2-yloxymethyl)thiophene-2-carboxylic acid
CID 102980062
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80720719

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine (CID 102986908) is 2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine is CCCC(C)OCc1cc(CNC(C)(C)C)sc1C.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is VJZHDIZHKUPCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-7-8-12(2)18-11-14-9-15(19-13(14)3)10-17-16(4,5)6/h9,12,17H,7-8,10-11H2,1-6H3.
What are the key properties of 2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 283.48 g/mol, XLogP of 4.65, 7 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-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 102986908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).