(2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide

C12H21ClN2 — CID 129171218

IUPAC(2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide
SMILESC/C=C(CCC)/C(=N\C/C=C/Cl)NCC
InChIInChI=1S/C12H21ClN2/c1-4-8-11(5-2)12(14-6-3)15-10-7-9-13/h5,7,9H,4,6,8,10H2,1-3H3,(H,14,15)/b9-7+,11-5+
InChIKeyWGHHPLQTEBHWIC-SWTGVTSMSA-N
MW228.77 g/mol
LogP3.49
Rot. Bonds6

About (2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide

(2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide (PubChem CID 129171218) has the molecular formula C12H21ClN2 and a molecular weight of 228.77 g/mol. Its IUPAC name is (2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide.

Molecular Properties

Compound Name(2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide
PubChem CID129171218
Molecular FormulaC12H21ClN2
Molecular Weight228.77 g/mol
Exact Mass228.14
IUPAC Name(2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide
SMILESC/C=C(CCC)/C(=N\C/C=C/Cl)NCC
InChIInChI=1S/C12H21ClN2/c1-4-8-11(5-2)12(14-6-3)15-10-7-9-13/h5,7,9H,4,6,8,10H2,1-3H3,(H,14,15)/b9-7+,11-5+
InChIKeyWGHHPLQTEBHWIC-SWTGVTSMSA-N
XLogP3.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide?
The IUPAC name of (2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide (CID 129171218) is (2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide.
What is the SMILES notation for (2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide?
The canonical SMILES for (2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide is C/C=C(CCC)/C(=N\C/C=C/Cl)NCC.
What is the InChIKey of (2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide?
The InChIKey is WGHHPLQTEBHWIC-SWTGVTSMSA-N. The full InChI is InChI=1S/C12H21ClN2/c1-4-8-11(5-2)12(14-6-3)15-10-7-9-13/h5,7,9H,4,6,8,10H2,1-3H3,(H,14,15)/b9-7+,11-5+.
What are the key properties of (2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide?
(2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide has a molecular weight of 228.77 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N'-[(E)-3-chloroprop-2-enyl]-N-ethyl-2-ethylidenepentanimidamide is sourced from PubChem (CID 129171218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).