2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine

C15H27NS — CID 55106895

IUPAC2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)Cc1ccsc1
InChIInChI=1S/C15H27NS/c1-5-15(6-2,12-16-10-13(3)4)9-14-7-8-17-11-14/h7-8,11,13,16H,5-6,9-10,12H2,1-4H3
InChIKeyCWGQVIDRBJATQW-UHFFFAOYSA-N
MW253.46 g/mol
LogP4.34
Rot. Bonds8

About 2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine

2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine (PubChem CID 55106895) has the molecular formula C15H27NS and a molecular weight of 253.46 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine
PubChem CID55106895
Molecular FormulaC15H27NS
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Name2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)Cc1ccsc1
InChIInChI=1S/C15H27NS/c1-5-15(6-2,12-16-10-13(3)4)9-14-7-8-17-11-14/h7-8,11,13,16H,5-6,9-10,12H2,1-4H3
InChIKeyCWGQVIDRBJATQW-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(bromomethyl)-2-ethylbutyl]thiophene
CID 66050912
2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
CID 62622769
2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
CID 62723225
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 103041075
3-[2,2-bis(bromomethyl)-4-methylpentyl]thiophene
CID 79453120
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637
N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
CID 79448721
2-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507266
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81025880

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine (CID 55106895) is 2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine is CCC(CC)(CNCC(C)C)Cc1ccsc1.
What is the InChIKey of 2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine?
The InChIKey is CWGQVIDRBJATQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-5-15(6-2,12-16-10-13(3)4)9-14-7-8-17-11-14/h7-8,11,13,16H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine?
2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine has a molecular weight of 253.46 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 55106895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).