1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol

C10H18N2OS — CID 4723865

IUPAC1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
SMILESCC(O)CNCCNCc1ccsc1
InChIInChI=1S/C10H18N2OS/c1-9(13)6-11-3-4-12-7-10-2-5-14-8-10/h2,5,8-9,11-13H,3-4,6-7H2,1H3
InChIKeyLMBZZIDJJHPNAS-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.81
Rot. Bonds7

About 1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol

1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol (PubChem CID 4723865) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
PubChem CID4723865
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
SMILESCC(O)CNCCNCc1ccsc1
InChIInChI=1S/C10H18N2OS/c1-9(13)6-11-3-4-12-7-10-2-5-14-8-10/h2,5,8-9,11-13H,3-4,6-7H2,1H3
InChIKeyLMBZZIDJJHPNAS-UHFFFAOYSA-N
XLogP0.81
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.81
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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Related Compounds

1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248312
2-methyl-N'-(thiophen-3-ylmethyl)butane-1,4-diamine
CID 81079572
1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248314
1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294470
2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115757742
1-[2-[(4-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294524
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 79278997
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63931946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol (CID 4723865) is 1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol is CC(O)CNCCNCc1ccsc1.
What is the InChIKey of 1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol?
The InChIKey is LMBZZIDJJHPNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-9(13)6-11-3-4-12-7-10-2-5-14-8-10/h2,5,8-9,11-13H,3-4,6-7H2,1H3.
What are the key properties of 1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol?
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol is sourced from PubChem (CID 4723865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).