2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine

C14H20N2 — CID 143565766

IUPAC2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESC=Cc1c(N)ccc(N(CC)CC)c1C=C
InChIInChI=1S/C14H20N2/c1-5-11-12(6-2)14(10-9-13(11)15)16(7-3)8-4/h5-6,9-10H,1-2,7-8,15H2,3-4H3
InChIKeyLYDIVMHUEPCRHX-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.40
Rot. Bonds5

About 2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine

2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 143565766) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID143565766
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESC=Cc1c(N)ccc(N(CC)CC)c1C=C
InChIInChI=1S/C14H20N2/c1-5-11-12(6-2)14(10-9-13(11)15)16(7-3)8-4/h5-6,9-10H,1-2,7-8,15H2,3-4H3
InChIKeyLYDIVMHUEPCRHX-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine (CID 143565766) is 2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine is C=Cc1c(N)ccc(N(CC)CC)c1C=C.
What is the InChIKey of 2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is LYDIVMHUEPCRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-11-12(6-2)14(10-9-13(11)15)16(7-3)8-4/h5-6,9-10H,1-2,7-8,15H2,3-4H3.
What are the key properties of 2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine?
2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 216.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 143565766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).