N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine

C20H24N2 — CID 67265564

IUPACN,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine
SMILESC=CCc1ccc(NCCNc2ccc(CC=C)cc2)cc1
InChIInChI=1S/C20H24N2/c1-3-5-17-7-11-19(12-8-17)21-15-16-22-20-13-9-18(6-4-2)10-14-20/h3-4,7-14,21-22H,1-2,5-6,15-16H2
InChIKeyVAKBQEIIBPMECZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.67
Rot. Bonds9

About N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine

N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine (PubChem CID 67265564) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine
PubChem CID67265564
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine
SMILESC=CCc1ccc(NCCNc2ccc(CC=C)cc2)cc1
InChIInChI=1S/C20H24N2/c1-3-5-17-7-11-19(12-8-17)21-15-16-22-20-13-9-18(6-4-2)10-14-20/h3-4,7-14,21-22H,1-2,5-6,15-16H2
InChIKeyVAKBQEIIBPMECZ-UHFFFAOYSA-N
XLogP4.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine (CID 67265564) is N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine is C=CCc1ccc(NCCNc2ccc(CC=C)cc2)cc1.
What is the InChIKey of N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine?
The InChIKey is VAKBQEIIBPMECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-5-17-7-11-19(12-8-17)21-15-16-22-20-13-9-18(6-4-2)10-14-20/h3-4,7-14,21-22H,1-2,5-6,15-16H2.
What are the key properties of N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine?
N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine has a molecular weight of 292.43 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-prop-2-enylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 67265564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).