(2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine

C10H16ClN — CID 156562697

IUPAC(2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C=C(/C)Cl)CCCC
InChIInChI=1S/C10H16ClN/c1-3-4-5-10(8-12)7-6-9(2)11/h6-8,12H,3-5H2,1-2H3/b9-6+,10-7-,12-8+
InChIKeyDWHRLAHURGVGCD-FTAWPAHLSA-N
MW185.70 g/mol
LogP3.90
Rot. Bonds5

About (2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine

(2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine (PubChem CID 156562697) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is (2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine
PubChem CID156562697
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name(2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C=C(/C)Cl)CCCC
InChIInChI=1S/C10H16ClN/c1-3-4-5-10(8-12)7-6-9(2)11/h6-8,12H,3-5H2,1-2H3/b9-6+,10-7-,12-8+
InChIKeyDWHRLAHURGVGCD-FTAWPAHLSA-N
XLogP3.90
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine (CID 156562697) is (2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine is [H]/N=C/C(=C\C=C(/C)Cl)CCCC.
What is the InChIKey of (2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine?
The InChIKey is DWHRLAHURGVGCD-FTAWPAHLSA-N. The full InChI is InChI=1S/C10H16ClN/c1-3-4-5-10(8-12)7-6-9(2)11/h6-8,12H,3-5H2,1-2H3/b9-6+,10-7-,12-8+.
What are the key properties of (2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine?
(2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine has a molecular weight of 185.70 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-butyl-5-chlorohexa-2,4-dien-1-imine is sourced from PubChem (CID 156562697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).