1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine

C9H15NOS — CID 78975145

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine
SMILESCCONCc1cc(C)sc1C
InChIInChI=1S/C9H15NOS/c1-4-11-10-6-9-5-7(2)12-8(9)3/h5,10H,4,6H2,1-3H3
InChIKeySJDQMQYAOGBRCG-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.41
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine

1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine (PubChem CID 78975145) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine
PubChem CID78975145
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine
SMILESCCONCc1cc(C)sc1C
InChIInChI=1S/C9H15NOS/c1-4-11-10-6-9-5-7(2)12-8(9)3/h5,10H,4,6H2,1-3H3
InChIKeySJDQMQYAOGBRCG-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethylthiophen-3-yl)methyl]-1-methylcyclopropan-1-amine
CID 115697506
2,5-dimethyl-3-(propoxymethyl)thiophene
CID 174163703
N-[(2,5-dimethylthiophen-3-yl)methyl]-3-ethylpentan-2-amine
CID 63842249
N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline
CID 54977763
2,5-dimethyl-3-(2-propoxyethyl)thiophene
CID 59303942
[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclopropyl]methanol
CID 115763026
N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 54977715
ethyl 2-[(2,5-dimethylthiophen-3-yl)methylamino]benzoate
CID 63423353
[1-[(2,5-dimethylthiophen-3-yl)methylamino]cyclohexyl]methanol
CID 62521865
N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine
CID 107587733
N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine
CID 83007388
N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 64865985

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine (CID 78975145) is 1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine is CCONCc1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine?
The InChIKey is SJDQMQYAOGBRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-4-11-10-6-9-5-7(2)12-8(9)3/h5,10H,4,6H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine has a molecular weight of 185.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-ethoxymethanamine is sourced from PubChem (CID 78975145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).