N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline

C22H23N — CID 143492954

IUPACN-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline
SMILESC=C/C=C\C(C)=C/N(c1ccccc1)c1ccc(CC=C)cc1
InChIInChI=1S/C22H23N/c1-4-6-11-19(3)18-23(21-12-8-7-9-13-21)22-16-14-20(10-5-2)15-17-22/h4-9,11-18H,1-2,10H2,3H3/b11-6-,19-18-
InChIKeyFENHOBFEEBSJEV-JTWZEKQYSA-N
MW301.43 g/mol
LogP6.20
Rot. Bonds7

About N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline

N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline (PubChem CID 143492954) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline.

Molecular Properties

Compound NameN-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline
PubChem CID143492954
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC NameN-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline
SMILESC=C/C=C\C(C)=C/N(c1ccccc1)c1ccc(CC=C)cc1
InChIInChI=1S/C22H23N/c1-4-6-11-19(3)18-23(21-12-8-7-9-13-21)22-16-14-20(10-5-2)15-17-22/h4-9,11-18H,1-2,10H2,3H3/b11-6-,19-18-
InChIKeyFENHOBFEEBSJEV-JTWZEKQYSA-N
XLogP6.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline?
The IUPAC name of N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline (CID 143492954) is N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline.
What is the SMILES notation for N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline?
The canonical SMILES for N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline is C=C/C=C\C(C)=C/N(c1ccccc1)c1ccc(CC=C)cc1.
What is the InChIKey of N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline?
The InChIKey is FENHOBFEEBSJEV-JTWZEKQYSA-N. The full InChI is InChI=1S/C22H23N/c1-4-6-11-19(3)18-23(21-12-8-7-9-13-21)22-16-14-20(10-5-2)15-17-22/h4-9,11-18H,1-2,10H2,3H3/b11-6-,19-18-.
What are the key properties of N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline?
N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline has a molecular weight of 301.43 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-2-methylhexa-1,3,5-trienyl]-N-phenyl-4-prop-2-enylaniline is sourced from PubChem (CID 143492954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).