N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine

C16H21NS2 — CID 6833

IUPACN,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine
SMILESCCN(CC)C(C)C=C(c1cccs1)c1cccs1
InChIInChI=1S/C16H21NS2/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16/h6-13H,4-5H2,1-3H3
InChIKeyCBYWMRHUUVRIAF-UHFFFAOYSA-N
MW291.49 g/mol
LogP4.97
Rot. Bonds6

About N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine

N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine (PubChem CID 6833) has the molecular formula C16H21NS2 and a molecular weight of 291.49 g/mol. Its IUPAC name is N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine
PubChem CID6833
Molecular FormulaC16H21NS2
Molecular Weight291.49 g/mol
Exact Mass291.11
IUPAC NameN,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine
SMILESCCN(CC)C(C)C=C(c1cccs1)c1cccs1
InChIInChI=1S/C16H21NS2/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16/h6-13H,4-5H2,1-3H3
InChIKeyCBYWMRHUUVRIAF-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine?
The IUPAC name of N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine (CID 6833) is N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine.
What is the SMILES notation for N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine?
The canonical SMILES for N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine is CCN(CC)C(C)C=C(c1cccs1)c1cccs1.
What is the InChIKey of N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine?
The InChIKey is CBYWMRHUUVRIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS2/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine?
N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine has a molecular weight of 291.49 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine is sourced from PubChem (CID 6833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).