2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol

C15H27NOS — CID 81418518

IUPAC2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
SMILESCCCC(NCC(CC)(CC)CO)c1cccs1
InChIInChI=1S/C15H27NOS/c1-4-8-13(14-9-7-10-18-14)16-11-15(5-2,6-3)12-17/h7,9-10,13,16-17H,4-6,8,11-12H2,1-3H3
InChIKeyUMCUNDHBXBCHLM-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.98
Rot. Bonds9

About 2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol

2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol (PubChem CID 81418518) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
PubChem CID81418518
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
SMILESCCCC(NCC(CC)(CC)CO)c1cccs1
InChIInChI=1S/C15H27NOS/c1-4-8-13(14-9-7-10-18-14)16-11-15(5-2,6-3)12-17/h7,9-10,13,16-17H,4-6,8,11-12H2,1-3H3
InChIKeyUMCUNDHBXBCHLM-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418517
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol
CID 114164876
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
CID 77031722
N-[(4-bromo-3-fluorophenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 81436822
2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid
CID 114996883
N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
CID 104578061
methyl 4-(1-thiophen-2-ylbutylamino)butanoate
CID 54962891
1-thiophen-2-ylbutylcyanamide
CID 62481656

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol (CID 81418518) is 2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol is CCCC(NCC(CC)(CC)CO)c1cccs1.
What is the InChIKey of 2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol?
The InChIKey is UMCUNDHBXBCHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-4-8-13(14-9-7-10-18-14)16-11-15(5-2,6-3)12-17/h7,9-10,13,16-17H,4-6,8,11-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol?
2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol has a molecular weight of 269.45 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol is sourced from PubChem (CID 81418518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).