2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol

C12H21NOS — CID 62016059

IUPAC2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
SMILESCCC(CC)N(CCO)Cc1cccs1
InChIInChI=1S/C12H21NOS/c1-3-11(4-2)13(7-8-14)10-12-6-5-9-15-12/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3
InChIKeyNIWWTKSRADBROW-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.73
Rot. Bonds7

About 2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol

2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol (PubChem CID 62016059) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
PubChem CID62016059
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
SMILESCCC(CC)N(CCO)Cc1cccs1
InChIInChI=1S/C12H21NOS/c1-3-11(4-2)13(7-8-14)10-12-6-5-9-15-12/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3
InChIKeyNIWWTKSRADBROW-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol
CID 63738491
2-[(3,4-dimethylphenyl)methyl-pentan-3-ylamino]ethanol
CID 62015496
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide
CID 43573458
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol
CID 43818907
2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
CID 62013906
2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol
CID 46991200
pentane;2-thiophen-2-ylethanol
CID 70273807
2-[(2-ethoxyphenyl)methyl-pentan-3-ylamino]ethanol
CID 62014901
1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62462705

Frequently Asked Questions

What is the IUPAC name of 2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol (CID 62016059) is 2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol is CCC(CC)N(CCO)Cc1cccs1.
What is the InChIKey of 2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol?
The InChIKey is NIWWTKSRADBROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-11(4-2)13(7-8-14)10-12-6-5-9-15-12/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol?
2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol has a molecular weight of 227.37 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 62016059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).