N-(4-phenyliminopent-2-en-2-yl)aniline

C17H18N2 — CID 1284736

IUPACN-(4-phenyliminopent-2-en-2-yl)aniline
SMILESCC(=C/C(C)=N/c1ccccc1)Nc1ccccc1
InChIInChI=1S/C17H18N2/c1-14(18-16-9-5-3-6-10-16)13-15(2)19-17-11-7-4-8-12-17/h3-13,18H,1-2H3/b14-13?,19-15+
InChIKeyPWYOZUDBDQUBBL-SIKHVQQESA-N
MW250.34 g/mol
LogP4.79
Rot. Bonds4

About N-(4-phenyliminopent-2-en-2-yl)aniline

N-(4-phenyliminopent-2-en-2-yl)aniline (PubChem CID 1284736) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-phenyliminopent-2-en-2-yl)aniline.

Molecular Properties

Compound NameN-(4-phenyliminopent-2-en-2-yl)aniline
PubChem CID1284736
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC NameN-(4-phenyliminopent-2-en-2-yl)aniline
SMILESCC(=C/C(C)=N/c1ccccc1)Nc1ccccc1
InChIInChI=1S/C17H18N2/c1-14(18-16-9-5-3-6-10-16)13-15(2)19-17-11-7-4-8-12-17/h3-13,18H,1-2H3/b14-13?,19-15+
InChIKeyPWYOZUDBDQUBBL-SIKHVQQESA-N
XLogP4.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyliminopent-2-en-2-yl)aniline?
The IUPAC name of N-(4-phenyliminopent-2-en-2-yl)aniline (CID 1284736) is N-(4-phenyliminopent-2-en-2-yl)aniline.
What is the SMILES notation for N-(4-phenyliminopent-2-en-2-yl)aniline?
The canonical SMILES for N-(4-phenyliminopent-2-en-2-yl)aniline is CC(=C/C(C)=N/c1ccccc1)Nc1ccccc1.
What is the InChIKey of N-(4-phenyliminopent-2-en-2-yl)aniline?
The InChIKey is PWYOZUDBDQUBBL-SIKHVQQESA-N. The full InChI is InChI=1S/C17H18N2/c1-14(18-16-9-5-3-6-10-16)13-15(2)19-17-11-7-4-8-12-17/h3-13,18H,1-2H3/b14-13?,19-15+.
What are the key properties of N-(4-phenyliminopent-2-en-2-yl)aniline?
N-(4-phenyliminopent-2-en-2-yl)aniline has a molecular weight of 250.34 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyliminopent-2-en-2-yl)aniline is sourced from PubChem (CID 1284736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).