benzene;bis(N-prop-1-enylaniline)

C24H28N2 — CID 70363490

IUPACbenzene;bis(N-prop-1-enylaniline)
SMILESCC=CNc1ccccc1.CC=CNc1ccccc1.c1ccccc1
InChIInChI=1S/2C9H11N.C6H6/c2*1-2-8-10-9-6-4-3-5-7-9;1-2-4-6-5-3-1/h2*2-8,10H,1H3;1-6H
InChIKeyIKYUZHJHVPGPHB-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.95
Rot. Bonds4

About benzene;bis(N-prop-1-enylaniline)

benzene;bis(N-prop-1-enylaniline) (PubChem CID 70363490) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is benzene;bis(N-prop-1-enylaniline).

Molecular Properties

Compound Namebenzene;bis(N-prop-1-enylaniline)
PubChem CID70363490
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Namebenzene;bis(N-prop-1-enylaniline)
SMILESCC=CNc1ccccc1.CC=CNc1ccccc1.c1ccccc1
InChIInChI=1S/2C9H11N.C6H6/c2*1-2-8-10-9-6-4-3-5-7-9;1-2-4-6-5-3-1/h2*2-8,10H,1H3;1-6H
InChIKeyIKYUZHJHVPGPHB-UHFFFAOYSA-N
XLogP6.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;bis(N-prop-1-enylaniline)?
The IUPAC name of benzene;bis(N-prop-1-enylaniline) (CID 70363490) is benzene;bis(N-prop-1-enylaniline).
What is the SMILES notation for benzene;bis(N-prop-1-enylaniline)?
The canonical SMILES for benzene;bis(N-prop-1-enylaniline) is CC=CNc1ccccc1.CC=CNc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bis(N-prop-1-enylaniline)?
The InChIKey is IKYUZHJHVPGPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.C6H6/c2*1-2-8-10-9-6-4-3-5-7-9;1-2-4-6-5-3-1/h2*2-8,10H,1H3;1-6H.
What are the key properties of benzene;bis(N-prop-1-enylaniline)?
benzene;bis(N-prop-1-enylaniline) has a molecular weight of 344.50 g/mol, XLogP of 6.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(N-prop-1-enylaniline) is sourced from PubChem (CID 70363490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).