(E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine

C8H14ClN — CID 130183552

IUPAC(E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine
SMILESCC/N=C/C(Cl)=C\C(C)C
InChIInChI=1S/C8H14ClN/c1-4-10-6-8(9)5-7(2)3/h5-7H,4H2,1-3H3/b8-5+,10-6+
InChIKeyIAQOVWVPZRNDBF-YLDLMLGBSA-N
MW159.66 g/mol
LogP2.86
Rot. Bonds3

About (E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine

(E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine (PubChem CID 130183552) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is (E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine
PubChem CID130183552
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name(E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine
SMILESCC/N=C/C(Cl)=C\C(C)C
InChIInChI=1S/C8H14ClN/c1-4-10-6-8(9)5-7(2)3/h5-7H,4H2,1-3H3/b8-5+,10-6+
InChIKeyIAQOVWVPZRNDBF-YLDLMLGBSA-N
XLogP2.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.86
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 (E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine?
The IUPAC name of (E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine (CID 130183552) is (E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine.
What is the SMILES notation for (E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine?
The canonical SMILES for (E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine is CC/N=C/C(Cl)=C\C(C)C.
What is the InChIKey of (E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine?
The InChIKey is IAQOVWVPZRNDBF-YLDLMLGBSA-N. The full InChI is InChI=1S/C8H14ClN/c1-4-10-6-8(9)5-7(2)3/h5-7H,4H2,1-3H3/b8-5+,10-6+.
What are the key properties of (E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine?
(E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine has a molecular weight of 159.66 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-N-ethyl-4-methylpent-2-en-1-imine is sourced from PubChem (CID 130183552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).