N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine

C23H24N2 — CID 19917507

IUPACN-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine
SMILESCC(/N=c1\cccccc1NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2/c1-18(20-12-6-3-7-13-20)24-22-16-10-5-11-17-23(22)25-19(2)21-14-8-4-9-15-21/h3-19H,1-2H3,(H,24,25)
InChIKeyWCOLOCXDSVQZKX-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.52
Rot. Bonds5

About N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine

N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine (PubChem CID 19917507) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine
PubChem CID19917507
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC NameN-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine
SMILESCC(/N=c1\cccccc1NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2/c1-18(20-12-6-3-7-13-20)24-22-16-10-5-11-17-23(22)25-19(2)21-14-8-4-9-15-21/h3-19H,1-2H3,(H,24,25)
InChIKeyWCOLOCXDSVQZKX-UHFFFAOYSA-N
XLogP5.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine (CID 19917507) is N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine is CC(/N=c1\cccccc1NC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine?
The InChIKey is WCOLOCXDSVQZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-18(20-12-6-3-7-13-20)24-22-16-10-5-11-17-23(22)25-19(2)21-14-8-4-9-15-21/h3-19H,1-2H3,(H,24,25).
What are the key properties of N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine?
N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine has a molecular weight of 328.46 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-7-(1-phenylethylimino)cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 19917507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).