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

C14H25NOS — CID 55055329

IUPAC2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol
SMILESCCN(Cc1cccs1)CC(CC)(CC)CO
InChIInChI=1S/C14H25NOS/c1-4-14(5-2,12-16)11-15(6-3)10-13-8-7-9-17-13/h7-9,16H,4-6,10-12H2,1-3H3
InChIKeySATJYJNCOLTGFU-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.37
Rot. Bonds8

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

2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol (PubChem CID 55055329) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol
PubChem CID55055329
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol
SMILESCCN(Cc1cccs1)CC(CC)(CC)CO
InChIInChI=1S/C14H25NOS/c1-4-14(5-2,12-16)11-15(6-3)10-13-8-7-9-17-13/h7-9,16H,4-6,10-12H2,1-3H3
InChIKeySATJYJNCOLTGFU-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
methyl 3-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 79619619
N,2-diethyl-2-methyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62259654
4-[1-[ethyl(thiophen-2-ylmethyl)amino]-2-methylpropan-2-yl]aniline
CID 80556236
3-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-2-phenylpropanal
CID 62276440
1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 112561384
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515
4-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylbutanethioamide
CID 65249134
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258016

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol (CID 55055329) is 2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol is CCN(Cc1cccs1)CC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol?
The InChIKey is SATJYJNCOLTGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-4-14(5-2,12-16)11-15(6-3)10-13-8-7-9-17-13/h7-9,16H,4-6,10-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol has a molecular weight of 255.43 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 55055329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).