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

C9H13NS — CID 20603574

IUPAC(E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine
SMILESCN(C)C/C=C/c1ccsc1
InChIInChI=1S/C9H13NS/c1-10(2)6-3-4-9-5-7-11-8-9/h3-5,7-8H,6H2,1-2H3/b4-3+
InChIKeyWZNIPCXPHYBNBD-ONEGZZNKSA-N
MW167.28 g/mol
LogP2.32
Rot. Bonds3

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

(E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine (PubChem CID 20603574) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine
PubChem CID20603574
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine
SMILESCN(C)C/C=C/c1ccsc1
InChIInChI=1S/C9H13NS/c1-10(2)6-3-4-9-5-7-11-8-9/h3-5,7-8H,6H2,1-2H3/b4-3+
InChIKeyWZNIPCXPHYBNBD-ONEGZZNKSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine (CID 20603574) is (E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine is CN(C)C/C=C/c1ccsc1.
What is the InChIKey of (E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine?
The InChIKey is WZNIPCXPHYBNBD-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H13NS/c1-10(2)6-3-4-9-5-7-11-8-9/h3-5,7-8H,6H2,1-2H3/b4-3+.
What are the key properties of (E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine?
(E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine has a molecular weight of 167.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine is sourced from PubChem (CID 20603574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).