(Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine

C21H26N2 — CID 162407550

IUPAC(Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine
SMILESC/C(=C/C(C)=N/C(C)c1ccccc1)NC(C)c1ccccc1
InChIInChI=1S/C21H26N2/c1-16(22-18(3)20-11-7-5-8-12-20)15-17(2)23-19(4)21-13-9-6-10-14-21/h5-15,18-19,22H,1-4H3/b16-15-,23-17+
InChIKeyNJJPGDAETZQWOA-ABJYRJKWSA-N
MW306.45 g/mol
LogP5.46
Rot. Bonds6

About (Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine

(Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine (PubChem CID 162407550) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine
PubChem CID162407550
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name(Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine
SMILESC/C(=C/C(C)=N/C(C)c1ccccc1)NC(C)c1ccccc1
InChIInChI=1S/C21H26N2/c1-16(22-18(3)20-11-7-5-8-12-20)15-17(2)23-19(4)21-13-9-6-10-14-21/h5-15,18-19,22H,1-4H3/b16-15-,23-17+
InChIKeyNJJPGDAETZQWOA-ABJYRJKWSA-N
XLogP5.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.46
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 (Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine?
The IUPAC name of (Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine (CID 162407550) is (Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine.
What is the SMILES notation for (Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine?
The canonical SMILES for (Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine is C/C(=C/C(C)=N/C(C)c1ccccc1)NC(C)c1ccccc1.
What is the InChIKey of (Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine?
The InChIKey is NJJPGDAETZQWOA-ABJYRJKWSA-N. The full InChI is InChI=1S/C21H26N2/c1-16(22-18(3)20-11-7-5-8-12-20)15-17(2)23-19(4)21-13-9-6-10-14-21/h5-15,18-19,22H,1-4H3/b16-15-,23-17+.
What are the key properties of (Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine?
(Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine has a molecular weight of 306.45 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-phenylethyl)-4-(1-phenylethylimino)pent-2-en-2-amine is sourced from PubChem (CID 162407550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).