(2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane

C12H23ClN2 — CID 167491687

IUPAC(2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane
SMILESCC.CC/C=C(Cl)\C=C/C(=N/C)NCC
InChIInChI=1S/C10H17ClN2.C2H6/c1-4-6-9(11)7-8-10(12-3)13-5-2;1-2/h6-8H,4-5H2,1-3H3,(H,12,13);1-2H3/b8-7-,9-6+;
InChIKeyQRPCDXIGHMBDNF-DAHMJHCMSA-N
MW230.78 g/mol
LogP3.74
Rot. Bonds4

About (2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane

(2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane (PubChem CID 167491687) has the molecular formula C12H23ClN2 and a molecular weight of 230.78 g/mol. Its IUPAC name is (2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane.

Molecular Properties

Compound Name(2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane
PubChem CID167491687
Molecular FormulaC12H23ClN2
Molecular Weight230.78 g/mol
Exact Mass230.15
IUPAC Name(2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane
SMILESCC.CC/C=C(Cl)\C=C/C(=N/C)NCC
InChIInChI=1S/C10H17ClN2.C2H6/c1-4-6-9(11)7-8-10(12-3)13-5-2;1-2/h6-8H,4-5H2,1-3H3,(H,12,13);1-2H3/b8-7-,9-6+;
InChIKeyQRPCDXIGHMBDNF-DAHMJHCMSA-N
XLogP3.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 53.74
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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Related Compounds

4-Chloro-2-hexa-2,4-dien-3-yl-5,6-dimethyl-1,2-dihydro-1,3,5-triazin-5-ium
CID 123349781
N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide
CID 123457161
N-(2-aminoethyl)-N'-[(6,7-dichloro-5-methylcyclohepta-1,3,6-trien-1-yl)methyl]ethanimidamide
CID 134593186
ethanamine;(Z)-N-ethyl-N'-methylpent-2-enimidamide
CID 143576284
(Z)-N-ethyl-N'-methylpent-2-enimidamide
CID 143576285
(2Z)-N',4-dimethyl-N-propylpenta-2,4-dienimidamide
CID 143692357
(5Z)-5-(2-chloroprop-2-enylidene)-N-methyl-1,2-dihydropyridin-6-imine
CID 143713255
(Z)-N-[3-[1-[[(3E,5Z)-5,6-dichloroocta-3,5,7-trienyl]amino]ethylamino]propyl]-N'-methylbut-2-enimidamide
CID 144190272
(2Z,4Z)-4-chloro-N',5-dimethyl-N-propan-2-ylhepta-2,4-dienimidamide
CID 169660606
(Z)-N'-methyl-N-propylpent-2-enimidamide
CID 143709707
(E)-N-but-3-enyl-N'-methylbut-2-enimidamide
CID 145174398
(2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide
CID 167491688

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane?
The IUPAC name of (2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane (CID 167491687) is (2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane.
What is the SMILES notation for (2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane?
The canonical SMILES for (2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane is CC.CC/C=C(Cl)\C=C/C(=N/C)NCC.
What is the InChIKey of (2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane?
The InChIKey is QRPCDXIGHMBDNF-DAHMJHCMSA-N. The full InChI is InChI=1S/C10H17ClN2.C2H6/c1-4-6-9(11)7-8-10(12-3)13-5-2;1-2/h6-8H,4-5H2,1-3H3,(H,12,13);1-2H3/b8-7-,9-6+;.
What are the key properties of (2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane?
(2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane has a molecular weight of 230.78 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-chloro-N-ethyl-N'-methylhepta-2,4-dienimidamide;ethane is sourced from PubChem (CID 167491687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).