(Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine

C16H22ClN — CID 167518068

IUPAC(Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine
SMILESCC/C=C(\C=N\C(C)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C16H22ClN/c1-5-6-15(12(2)3)11-18-13(4)14-7-9-16(17)10-8-14/h6-13H,5H2,1-4H3/b15-6+,18-11+
InChIKeyRDFDAPVJHRXATC-ACNLDZBTSA-N
MW263.81 g/mol
LogP5.46
Rot. Bonds5

About (Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine

(Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine (PubChem CID 167518068) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is (Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine
PubChem CID167518068
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name(Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine
SMILESCC/C=C(\C=N\C(C)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C16H22ClN/c1-5-6-15(12(2)3)11-18-13(4)14-7-9-16(17)10-8-14/h6-13H,5H2,1-4H3/b15-6+,18-11+
InChIKeyRDFDAPVJHRXATC-ACNLDZBTSA-N
XLogP5.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.81
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine?
The IUPAC name of (Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine (CID 167518068) is (Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine.
What is the SMILES notation for (Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine?
The canonical SMILES for (Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine is CC/C=C(\C=N\C(C)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of (Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine?
The InChIKey is RDFDAPVJHRXATC-ACNLDZBTSA-N. The full InChI is InChI=1S/C16H22ClN/c1-5-6-15(12(2)3)11-18-13(4)14-7-9-16(17)10-8-14/h6-13H,5H2,1-4H3/b15-6+,18-11+.
What are the key properties of (Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine?
(Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine has a molecular weight of 263.81 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(4-chlorophenyl)ethyl]-2-propan-2-ylpent-2-en-1-imine is sourced from PubChem (CID 167518068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).