1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol

C13H21NOS — CID 63295222

IUPAC1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol
SMILESCC(C)C(NCC(O)C1CC1)c1cccs1
InChIInChI=1S/C13H21NOS/c1-9(2)13(12-4-3-7-16-12)14-8-11(15)10-5-6-10/h3-4,7,9-11,13-15H,5-6,8H2,1-2H3
InChIKeyUQXVUDXXPOXBJM-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.81
Rot. Bonds6

About 1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol

1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol (PubChem CID 63295222) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol
PubChem CID63295222
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol
SMILESCC(C)C(NCC(O)C1CC1)c1cccs1
InChIInChI=1S/C13H21NOS/c1-9(2)13(12-4-3-7-16-12)14-8-11(15)10-5-6-10/h3-4,7,9-11,13-15H,5-6,8H2,1-2H3
InChIKeyUQXVUDXXPOXBJM-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol (CID 63295222) is 1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol is CC(C)C(NCC(O)C1CC1)c1cccs1.
What is the InChIKey of 1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol?
The InChIKey is UQXVUDXXPOXBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9(2)13(12-4-3-7-16-12)14-8-11(15)10-5-6-10/h3-4,7,9-11,13-15H,5-6,8H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol?
1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol has a molecular weight of 239.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethanol is sourced from PubChem (CID 63295222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).