2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine

C14H17NS — CID 166941304

IUPAC2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine
SMILESC=C(c1ccc2ccsc2c1)C(CC)NC
InChIInChI=1S/C14H17NS/c1-4-13(15-3)10(2)12-6-5-11-7-8-16-14(11)9-12/h5-9,13,15H,2,4H2,1,3H3
InChIKeyWEVIFMOSWQAAFM-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.91
Rot. Bonds4

About 2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine

2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine (PubChem CID 166941304) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine
PubChem CID166941304
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine
SMILESC=C(c1ccc2ccsc2c1)C(CC)NC
InChIInChI=1S/C14H17NS/c1-4-13(15-3)10(2)12-6-5-11-7-8-16-14(11)9-12/h5-9,13,15H,2,4H2,1,3H3
InChIKeyWEVIFMOSWQAAFM-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine?
The IUPAC name of 2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine (CID 166941304) is 2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine.
What is the SMILES notation for 2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine?
The canonical SMILES for 2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine is C=C(c1ccc2ccsc2c1)C(CC)NC.
What is the InChIKey of 2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine?
The InChIKey is WEVIFMOSWQAAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-4-13(15-3)10(2)12-6-5-11-7-8-16-14(11)9-12/h5-9,13,15H,2,4H2,1,3H3.
What are the key properties of 2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine?
2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine has a molecular weight of 231.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine is sourced from PubChem (CID 166941304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).