1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride

C10H18ClN2OS- — CID 53350890

IUPAC1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
SMILESCC(O)CNCCNCc1cccs1.[Cl-]
InChIInChI=1S/C10H18N2OS.ClH/c1-9(13)7-11-4-5-12-8-10-3-2-6-14-10;/h2-3,6,9,11-13H,4-5,7-8H2,1H3;1H/p-1
InChIKeyHQHYRJKRBQYKCK-UHFFFAOYSA-M
MW249.79 g/mol
LogP-2.19
Rot. Bonds7

About 1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride

1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride (PubChem CID 53350890) has the molecular formula C10H18ClN2OS- and a molecular weight of 249.79 g/mol. Its IUPAC name is 1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride.

Molecular Properties

Compound Name1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
PubChem CID53350890
Molecular FormulaC10H18ClN2OS-
Molecular Weight249.79 g/mol
Exact Mass249.08
IUPAC Name1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
SMILESCC(O)CNCCNCc1cccs1.[Cl-]
InChIInChI=1S/C10H18N2OS.ClH/c1-9(13)7-11-4-5-12-8-10-3-2-6-14-10;/h2-3,6,9,11-13H,4-5,7-8H2,1H3;1H/p-1
InChIKeyHQHYRJKRBQYKCK-UHFFFAOYSA-M
XLogP-2.19
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride?
The IUPAC name of 1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride (CID 53350890) is 1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride.
What is the SMILES notation for 1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride?
The canonical SMILES for 1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride is CC(O)CNCCNCc1cccs1.[Cl-].
What is the InChIKey of 1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride?
The InChIKey is HQHYRJKRBQYKCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N2OS.ClH/c1-9(13)7-11-4-5-12-8-10-3-2-6-14-10;/h2-3,6,9,11-13H,4-5,7-8H2,1H3;1H/p-1.
What are the key properties of 1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride?
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride has a molecular weight of 249.79 g/mol, XLogP of -2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride is sourced from PubChem (CID 53350890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).