4-(ethylamino)butan-2-ol;thiophene

C10H19NOS — CID 175081184

IUPAC4-(ethylamino)butan-2-ol;thiophene
SMILESCCNCCC(C)O.c1ccsc1
InChIInChI=1S/C6H15NO.C4H4S/c1-3-7-5-4-6(2)8;1-2-4-5-3-1/h6-8H,3-5H2,1-2H3;1-4H
InChIKeyRDRFERFRTDRAST-UHFFFAOYSA-N
MW201.34 g/mol
LogP2.11
Rot. Bonds4

About 4-(ethylamino)butan-2-ol;thiophene

4-(ethylamino)butan-2-ol;thiophene (PubChem CID 175081184) has the molecular formula C10H19NOS and a molecular weight of 201.34 g/mol. Its IUPAC name is 4-(ethylamino)butan-2-ol;thiophene.

Molecular Properties

Compound Name4-(ethylamino)butan-2-ol;thiophene
PubChem CID175081184
Molecular FormulaC10H19NOS
Molecular Weight201.34 g/mol
Exact Mass201.12
IUPAC Name4-(ethylamino)butan-2-ol;thiophene
SMILESCCNCCC(C)O.c1ccsc1
InChIInChI=1S/C6H15NO.C4H4S/c1-3-7-5-4-6(2)8;1-2-4-5-3-1/h6-8H,3-5H2,1-2H3;1-4H
InChIKeyRDRFERFRTDRAST-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(ethylamino)butan-2-ol;thiophene?
The IUPAC name of 4-(ethylamino)butan-2-ol;thiophene (CID 175081184) is 4-(ethylamino)butan-2-ol;thiophene.
What is the SMILES notation for 4-(ethylamino)butan-2-ol;thiophene?
The canonical SMILES for 4-(ethylamino)butan-2-ol;thiophene is CCNCCC(C)O.c1ccsc1.
What is the InChIKey of 4-(ethylamino)butan-2-ol;thiophene?
The InChIKey is RDRFERFRTDRAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C4H4S/c1-3-7-5-4-6(2)8;1-2-4-5-3-1/h6-8H,3-5H2,1-2H3;1-4H.
What are the key properties of 4-(ethylamino)butan-2-ol;thiophene?
4-(ethylamino)butan-2-ol;thiophene has a molecular weight of 201.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)butan-2-ol;thiophene is sourced from PubChem (CID 175081184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).