(E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine

C16H19NS — CID 110176187

IUPAC(E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine
SMILESC/C(CN(C)C)=C(/c1ccccc1)c1cccs1
InChIInChI=1S/C16H19NS/c1-13(12-17(2)3)16(15-10-7-11-18-15)14-8-5-4-6-9-14/h4-11H,12H2,1-3H3/b16-13+
InChIKeyXBXDXFBRJBTLSQ-DTQAZKPQSA-N
MW257.40 g/mol
LogP4.13
Rot. Bonds4

About (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine

(E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine (PubChem CID 110176187) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine
PubChem CID110176187
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine
SMILESC/C(CN(C)C)=C(/c1ccccc1)c1cccs1
InChIInChI=1S/C16H19NS/c1-13(12-17(2)3)16(15-10-7-11-18-15)14-8-5-4-6-9-14/h4-11H,12H2,1-3H3/b16-13+
InChIKeyXBXDXFBRJBTLSQ-DTQAZKPQSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine (CID 110176187) is (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine is C/C(CN(C)C)=C(/c1ccccc1)c1cccs1.
What is the InChIKey of (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine?
The InChIKey is XBXDXFBRJBTLSQ-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H19NS/c1-13(12-17(2)3)16(15-10-7-11-18-15)14-8-5-4-6-9-14/h4-11H,12H2,1-3H3/b16-13+.
What are the key properties of (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine?
(E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine has a molecular weight of 257.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine is sourced from PubChem (CID 110176187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).