N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide

C11H13ClN2 — CID 90718255

IUPACN-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide
SMILESC=C1C=C(Cl)C=C/C1=N\C(CC)=N\C
InChIInChI=1S/C11H13ClN2/c1-4-11(13-3)14-10-6-5-9(12)7-8(10)2/h5-7H,2,4H2,1,3H3/b13-11+,14-10+
InChIKeyIALYEPUCSNVRPY-CKNIOMRDSA-N
MW208.69 g/mol
LogP3.11
Rot. Bonds1

About N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide

N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide (PubChem CID 90718255) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide
PubChem CID90718255
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC NameN-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide
SMILESC=C1C=C(Cl)C=C/C1=N\C(CC)=N\C
InChIInChI=1S/C11H13ClN2/c1-4-11(13-3)14-10-6-5-9(12)7-8(10)2/h5-7H,2,4H2,1,3H3/b13-11+,14-10+
InChIKeyIALYEPUCSNVRPY-CKNIOMRDSA-N
XLogP3.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.11
H-Bond Donors ≤ 50
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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Related Compounds

(NZ)-N-[(4E)-5-fluoro-2-methylhepta-1,4,6-trien-3-ylidene]-N'-methylcarbamimidoyl chloride
CID 142498574
1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 53921814
7-chloro-2H-quinazolin-2-ide;propane;yttrium
CID 58547045
7-Chloro-2-methyl-2,3-dihydro-1,8-naphthyridine
CID 89240848
3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 123770500
N'-methyl-N-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 129181531
N'-methyl-N-(2-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 129181532
N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 129275588
N-(4-iodo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylethanimidamide
CID 129296896
ethane;N'-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 141880734
(3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine
CID 142280961
ethane;N'-methyl-N-[(4Z,8Z)-3,6,7-trimethylideneundeca-4,8,10-trien-2-ylidene]ethanimidamide
CID 142608345

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide?
The IUPAC name of N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide (CID 90718255) is N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide.
What is the SMILES notation for N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide?
The canonical SMILES for N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide is C=C1C=C(Cl)C=C/C1=N\C(CC)=N\C.
What is the InChIKey of N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide?
The InChIKey is IALYEPUCSNVRPY-CKNIOMRDSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-4-11(13-3)14-10-6-5-9(12)7-8(10)2/h5-7H,2,4H2,1,3H3/b13-11+,14-10+.
What are the key properties of N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide?
N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide has a molecular weight of 208.69 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide is sourced from PubChem (CID 90718255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).