N-ethylethanamine;formamide;thiophene

C9H18N2OS — CID 174643936

IUPACN-ethylethanamine;formamide;thiophene
SMILESCCNCC.NC=O.c1ccsc1
InChIInChI=1S/C4H11N.C4H4S.CH3NO/c1-3-5-4-2;1-2-4-5-3-1;2-1-3/h5H,3-4H2,1-2H3;1-4H;1H,(H2,2,3)
InChIKeyAUJGNBWPXWHQDR-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.47
Rot. Bonds2

About N-ethylethanamine;formamide;thiophene

N-ethylethanamine;formamide;thiophene (PubChem CID 174643936) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-ethylethanamine;formamide;thiophene.

Molecular Properties

Compound NameN-ethylethanamine;formamide;thiophene
PubChem CID174643936
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-ethylethanamine;formamide;thiophene
SMILESCCNCC.NC=O.c1ccsc1
InChIInChI=1S/C4H11N.C4H4S.CH3NO/c1-3-5-4-2;1-2-4-5-3-1;2-1-3/h5H,3-4H2,1-2H3;1-4H;1H,(H2,2,3)
InChIKeyAUJGNBWPXWHQDR-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;formamide;thiophene?
The IUPAC name of N-ethylethanamine;formamide;thiophene (CID 174643936) is N-ethylethanamine;formamide;thiophene.
What is the SMILES notation for N-ethylethanamine;formamide;thiophene?
The canonical SMILES for N-ethylethanamine;formamide;thiophene is CCNCC.NC=O.c1ccsc1.
What is the InChIKey of N-ethylethanamine;formamide;thiophene?
The InChIKey is AUJGNBWPXWHQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C4H4S.CH3NO/c1-3-5-4-2;1-2-4-5-3-1;2-1-3/h5H,3-4H2,1-2H3;1-4H;1H,(H2,2,3).
What are the key properties of N-ethylethanamine;formamide;thiophene?
N-ethylethanamine;formamide;thiophene has a molecular weight of 202.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;formamide;thiophene is sourced from PubChem (CID 174643936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).