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

C9H13NS — CID 5452261

IUPAC(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
SMILESCN(C)C/C=C\c1cccs1
InChIInChI=1S/C9H13NS/c1-10(2)7-3-5-9-6-4-8-11-9/h3-6,8H,7H2,1-2H3/b5-3-
InChIKeyOFSSDKDJIKXVSO-HYXAFXHYSA-N
MW167.28 g/mol
LogP2.32
Rot. Bonds3

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

(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine (PubChem CID 5452261) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
PubChem CID5452261
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
SMILESCN(C)C/C=C\c1cccs1
InChIInChI=1S/C9H13NS/c1-10(2)7-3-5-9-6-4-8-11-9/h3-6,8H,7H2,1-2H3/b5-3-
InChIKeyOFSSDKDJIKXVSO-HYXAFXHYSA-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 (Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine?
The IUPAC name of (Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine (CID 5452261) is (Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine.
What is the SMILES notation for (Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine?
The canonical SMILES for (Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine is CN(C)C/C=C\c1cccs1.
What is the InChIKey of (Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine?
The InChIKey is OFSSDKDJIKXVSO-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H13NS/c1-10(2)7-3-5-9-6-4-8-11-9/h3-6,8H,7H2,1-2H3/b5-3-.
What are the key properties of (Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine?
(Z)-N,N-dimethyl-3-thiophen-2-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 (Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine is sourced from PubChem (CID 5452261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).