3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine

C11H19NS — CID 102837734

IUPAC3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNCCCc1ccsc1C
InChIInChI=1S/C11H19NS/c1-3-7-12-8-4-5-11-6-9-13-10(11)2/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeyAMKLDVANDKBPGE-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.99
Rot. Bonds6

About 3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine

3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine (PubChem CID 102837734) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
PubChem CID102837734
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNCCCc1ccsc1C
InChIInChI=1S/C11H19NS/c1-3-7-12-8-4-5-11-6-9-13-10(11)2/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeyAMKLDVANDKBPGE-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylthiophen-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine (CID 102837734) is 3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine is CCCNCCCc1ccsc1C.
What is the InChIKey of 3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine?
The InChIKey is AMKLDVANDKBPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-3-7-12-8-4-5-11-6-9-13-10(11)2/h6,9,12H,3-5,7-8H2,1-2H3.
What are the key properties of 3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine?
3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 102837734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).