3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine

C15H21NOS2 — CID 43433670

IUPAC3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCC(C)OCCCNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C15H21NOS2/c1-12(2)17-7-4-6-16-10-14-9-13(11-19-14)15-5-3-8-18-15/h3,5,8-9,11-12,16H,4,6-7,10H2,1-2H3
InChIKeyNRNKYEXFRVNBAB-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.38
Rot. Bonds8

About 3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine

3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 43433670) has the molecular formula C15H21NOS2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
PubChem CID43433670
Molecular FormulaC15H21NOS2
Molecular Weight295.47 g/mol
Exact Mass295.11
IUPAC Name3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCC(C)OCCCNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C15H21NOS2/c1-12(2)17-7-4-6-16-10-14-9-13(11-19-14)15-5-3-8-18-15/h3,5,8-9,11-12,16H,4,6-7,10H2,1-2H3
InChIKeyNRNKYEXFRVNBAB-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (CID 43433670) is 3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is CC(C)OCCCNCc1cc(-c2cccs2)cs1.
What is the InChIKey of 3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is NRNKYEXFRVNBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS2/c1-12(2)17-7-4-6-16-10-14-9-13(11-19-14)15-5-3-8-18-15/h3,5,8-9,11-12,16H,4,6-7,10H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43433670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).