(Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide

C15H23ClN2 — CID 118146193

IUPAC(Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide
SMILESC=C/C=C\N=C(N)\C(=C(/C)CCCC)C(\Cl)=C/C
InChIInChI=1S/C15H23ClN2/c1-5-8-10-12(4)14(13(16)7-3)15(17)18-11-9-6-2/h6-7,9,11H,2,5,8,10H2,1,3-4H3,(H2,17,18)/b11-9-,13-7+,14-12+
InChIKeyGBYGSSYJIMYZDQ-DRZUBRJWSA-N
MW266.82 g/mol
LogP4.69
Rot. Bonds7

About (Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide

(Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide (PubChem CID 118146193) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is (Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide
PubChem CID118146193
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name(Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide
SMILESC=C/C=C\N=C(N)\C(=C(/C)CCCC)C(\Cl)=C/C
InChIInChI=1S/C15H23ClN2/c1-5-8-10-12(4)14(13(16)7-3)15(17)18-11-9-6-2/h6-7,9,11H,2,5,8,10H2,1,3-4H3,(H2,17,18)/b11-9-,13-7+,14-12+
InChIKeyGBYGSSYJIMYZDQ-DRZUBRJWSA-N
XLogP4.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.69
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide?
The IUPAC name of (Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide (CID 118146193) is (Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide.
What is the SMILES notation for (Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide?
The canonical SMILES for (Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide is C=C/C=C\N=C(N)\C(=C(/C)CCCC)C(\Cl)=C/C.
What is the InChIKey of (Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide?
The InChIKey is GBYGSSYJIMYZDQ-DRZUBRJWSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-5-8-10-12(4)14(13(16)7-3)15(17)18-11-9-6-2/h6-7,9,11H,2,5,8,10H2,1,3-4H3,(H2,17,18)/b11-9-,13-7+,14-12+.
What are the key properties of (Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide?
(Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide has a molecular weight of 266.82 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[(1Z)-buta-1,3-dienyl]-2-[(E)-1-chloroprop-1-enyl]-3-methylhept-2-enimidamide is sourced from PubChem (CID 118146193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).