(2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide

C13H21ClN2 — CID 123286684

IUPAC(2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide
SMILESC=C(Cl)NC(=N\CC)/C(C)=C/CCC=CC
InChIInChI=1S/C13H21ClN2/c1-5-7-8-9-10-11(3)13(15-6-2)16-12(4)14/h5,7,10H,4,6,8-9H2,1-3H3,(H,15,16)/b7-5?,11-10+
InChIKeyUQAQUJONTDJKLG-LKRVBFKCSA-N
MW240.78 g/mol
LogP4.01
Rot. Bonds6

About (2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide

(2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide (PubChem CID 123286684) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is (2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide.

Molecular Properties

Compound Name(2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide
PubChem CID123286684
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name(2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide
SMILESC=C(Cl)NC(=N\CC)/C(C)=C/CCC=CC
InChIInChI=1S/C13H21ClN2/c1-5-7-8-9-10-11(3)13(15-6-2)16-12(4)14/h5,7,10H,4,6,8-9H2,1-3H3,(H,15,16)/b7-5?,11-10+
InChIKeyUQAQUJONTDJKLG-LKRVBFKCSA-N
XLogP4.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-3-ethyl-6-methyl-4H-azepin-7-amine
CID 123477375
2-[(3E)-4-chloropenta-1,3-dien-2-yl]-1,4-dihydropyrimidine
CID 123798047
(3Z)-N-[(E)-2-chloroethenyl]-3-ethylidene-4H-pyridin-2-amine
CID 143712815
(Z)-N',2-dimethyl-N-[(E)-pent-1-enyl]but-2-enimidamide
CID 155274674
(2E)-N-[(E)-but-1-enyl]-2-(1-chloroethylidene)-N'-propylpentanimidamide
CID 156230352
3-(1-chloroethenylamino)-2-methyl-N'-[(Z,2R)-3-methylhept-3-en-2-yl]prop-2-enimidamide
CID 173489057

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide?
The IUPAC name of (2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide (CID 123286684) is (2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide.
What is the SMILES notation for (2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide?
The canonical SMILES for (2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide is C=C(Cl)NC(=N\CC)/C(C)=C/CCC=CC.
What is the InChIKey of (2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide?
The InChIKey is UQAQUJONTDJKLG-LKRVBFKCSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-5-7-8-9-10-11(3)13(15-6-2)16-12(4)14/h5,7,10H,4,6,8-9H2,1-3H3,(H,15,16)/b7-5?,11-10+.
What are the key properties of (2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide?
(2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide has a molecular weight of 240.78 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(1-chloroethenyl)-N'-ethyl-2-methylocta-2,6-dienimidamide is sourced from PubChem (CID 123286684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).