3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine

C12H21NOS — CID 82939993

IUPAC3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
SMILESCCCOCCCNCCc1ccsc1
InChIInChI=1S/C12H21NOS/c1-2-8-14-9-3-6-13-7-4-12-5-10-15-11-12/h5,10-11,13H,2-4,6-9H2,1H3
InChIKeyGXUKWPYEFRNVDY-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.70
Rot. Bonds9

About 3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine

3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine (PubChem CID 82939993) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
PubChem CID82939993
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
SMILESCCCOCCCNCCc1ccsc1
InChIInChI=1S/C12H21NOS/c1-2-8-14-9-3-6-13-7-4-12-5-10-15-11-12/h5,10-11,13H,2-4,6-9H2,1H3
InChIKeyGXUKWPYEFRNVDY-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine
CID 62598298
methyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 61473778
N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62529819
N'-butyl-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62575390
ethyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 64579329
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 107668711
N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine
CID 82825014
N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62554315
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine?
The IUPAC name of 3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine (CID 82939993) is 3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine.
What is the SMILES notation for 3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine?
The canonical SMILES for 3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine is CCCOCCCNCCc1ccsc1.
What is the InChIKey of 3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine?
The InChIKey is GXUKWPYEFRNVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-2-8-14-9-3-6-13-7-4-12-5-10-15-11-12/h5,10-11,13H,2-4,6-9H2,1H3.
What are the key properties of 3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine?
3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine is sourced from PubChem (CID 82939993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).