2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine

C11H16N4 — CID 142229286

IUPAC2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine
SMILESC=N/C(N)=N\C(=C1\C=CC=CC1)N(C)C
InChIInChI=1S/C11H16N4/c1-13-11(12)14-10(15(2)3)9-7-5-4-6-8-9/h4-7H,1,8H2,2-3H3,(H2,12,14)/b10-9+
InChIKeyNUOCPDGREJPTJN-MDZDMXLPSA-N
MW204.28 g/mol
LogP1.29
Rot. Bonds2

About 2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine

2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine (PubChem CID 142229286) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine.

Molecular Properties

Compound Name2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine
PubChem CID142229286
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine
SMILESC=N/C(N)=N\C(=C1\C=CC=CC1)N(C)C
InChIInChI=1S/C11H16N4/c1-13-11(12)14-10(15(2)3)9-7-5-4-6-8-9/h4-7H,1,8H2,2-3H3,(H2,12,14)/b10-9+
InChIKeyNUOCPDGREJPTJN-MDZDMXLPSA-N
XLogP1.29
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1,3-dimethyl-4-[1-(methylideneamino)penta-1,3-dien-2-yl]-4H-pyrimidin-3-ium-2-amine
CID 123954047
(Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine
CID 142166817
(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine
CID 143157306
ethane;(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine
CID 143396319
(1E,3Z)-2-ethenyl-1-(methylideneamino)hepta-1,3-dien-1-amine
CID 143396320
(1E,4Z)-2-ethenyl-1-N',1-N'-dimethyl-3-methylidenehexa-1,4-diene-1,1-diamine
CID 143575022
1,1-dimethyl-2-[N'-(2-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine
CID 157099847
2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine
CID 157340926
1,1-dimethyl-2-[N'-[2-(2-methylcyclopenta-1,4-dien-1-yl)ethyl]carbamimidoyl]guanidine
CID 157598775
1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine
CID 159423174

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine?
The IUPAC name of 2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine (CID 142229286) is 2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine.
What is the SMILES notation for 2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine?
The canonical SMILES for 2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine is C=N/C(N)=N\C(=C1\C=CC=CC1)N(C)C.
What is the InChIKey of 2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine?
The InChIKey is NUOCPDGREJPTJN-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H16N4/c1-13-11(12)14-10(15(2)3)9-7-5-4-6-8-9/h4-7H,1,8H2,2-3H3,(H2,12,14)/b10-9+.
What are the key properties of 2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine?
2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine has a molecular weight of 204.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-cyclohexa-2,4-dien-1-ylidene(dimethylamino)methyl]-1-methylideneguanidine is sourced from PubChem (CID 142229286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).