2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol

C14H26N2OS — CID 55022203

IUPAC2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol
SMILESCCCCN(CCO)C(c1cccs1)C(N)CC
InChIInChI=1S/C14H26N2OS/c1-3-5-8-16(9-10-17)14(12(15)4-2)13-7-6-11-18-13/h6-7,11-12,14,17H,3-5,8-10,15H2,1-2H3
InChIKeySZURHYRAFKZLOE-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.62
Rot. Bonds9

About 2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol

2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol (PubChem CID 55022203) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol
PubChem CID55022203
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol
SMILESCCCCN(CCO)C(c1cccs1)C(N)CC
InChIInChI=1S/C14H26N2OS/c1-3-5-8-16(9-10-17)14(12(15)4-2)13-7-6-11-18-13/h6-7,11-12,14,17H,3-5,8-10,15H2,1-2H3
InChIKeySZURHYRAFKZLOE-UHFFFAOYSA-N
XLogP2.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine
CID 63955105
1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine
CID 55021667
2-[[2-amino-1-(4-chlorophenyl)propyl]-butylamino]ethanol
CID 55014902
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 81058853
2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol
CID 55019360
2-[(2-amino-1-thiophen-2-ylbutyl)-methylamino]cyclohexan-1-ol
CID 102631633
2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62016059
1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55021776
1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021714
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-1-thiophen-2-ylbutane-1,2-diamine
CID 62978760
1-hexoxy-1-thiophen-2-ylbutan-2-amine
CID 55021024
3-[(2-amino-1-thiophen-2-ylbutyl)-cyclopropylamino]propanenitrile
CID 55021870

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol?
The IUPAC name of 2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol (CID 55022203) is 2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol?
The canonical SMILES for 2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol is CCCCN(CCO)C(c1cccs1)C(N)CC.
What is the InChIKey of 2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol?
The InChIKey is SZURHYRAFKZLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-3-5-8-16(9-10-17)14(12(15)4-2)13-7-6-11-18-13/h6-7,11-12,14,17H,3-5,8-10,15H2,1-2H3.
What are the key properties of 2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol?
2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol has a molecular weight of 270.44 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol is sourced from PubChem (CID 55022203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).