4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline

C25H30N2 — CID 66694747

IUPAC4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline
SMILESC=CCc1cc(Cc2cc(CC=C)c(N)c(CC=C)c2)cc(CC=C)c1N
InChIInChI=1S/C25H30N2/c1-5-9-20-14-18(15-21(10-6-2)24(20)26)13-19-16-22(11-7-3)25(27)23(17-19)12-8-4/h5-8,14-17H,1-4,9-13,26-27H2
InChIKeyKGUGVSXZWOCAAZ-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.36
Rot. Bonds10

About 4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline

4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline (PubChem CID 66694747) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline
PubChem CID66694747
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline
SMILESC=CCc1cc(Cc2cc(CC=C)c(N)c(CC=C)c2)cc(CC=C)c1N
InChIInChI=1S/C25H30N2/c1-5-9-20-14-18(15-21(10-6-2)24(20)26)13-19-16-22(11-7-3)25(27)23(17-19)12-8-4/h5-8,14-17H,1-4,9-13,26-27H2
InChIKeyKGUGVSXZWOCAAZ-UHFFFAOYSA-N
XLogP5.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline?
The IUPAC name of 4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline (CID 66694747) is 4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline.
What is the SMILES notation for 4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline?
The canonical SMILES for 4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline is C=CCc1cc(Cc2cc(CC=C)c(N)c(CC=C)c2)cc(CC=C)c1N.
What is the InChIKey of 4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline?
The InChIKey is KGUGVSXZWOCAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-5-9-20-14-18(15-21(10-6-2)24(20)26)13-19-16-22(11-7-3)25(27)23(17-19)12-8-4/h5-8,14-17H,1-4,9-13,26-27H2.
What are the key properties of 4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline?
4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline has a molecular weight of 358.53 g/mol, XLogP of 5.36, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline is sourced from PubChem (CID 66694747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).