2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine

C11H16N4 — CID 9017468

IUPAC2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1cc(C)ccc1C
InChIInChI=1S/C11H16N4/c1-7-4-5-8(2)10(6-7)9(3)14-15-11(12)13/h4-6H,1-3H3,(H4,12,13,15)/b14-9-
InChIKeyAZQYIWZSWGQIPJ-ZROIWOOFSA-N
MW204.28 g/mol
LogP1.30
Rot. Bonds2

About 2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine

2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine (PubChem CID 9017468) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine
PubChem CID9017468
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1cc(C)ccc1C
InChIInChI=1S/C11H16N4/c1-7-4-5-8(2)10(6-7)9(3)14-15-11(12)13/h4-6H,1-3H3,(H4,12,13,15)/b14-9-
InChIKeyAZQYIWZSWGQIPJ-ZROIWOOFSA-N
XLogP1.30
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-1-[5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethylideneamino]guanidine;dihydrochloride
CID 172929445
2,5-dimethyl-N'-(2-methylprop-1-enyl)benzenecarboximidamide
CID 143963962
(Z)-1-(2,5-dimethylphenyl)prop-1-en-1-amine
CID 144516209
N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
CID 9120782
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
CID 126634568
2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine
CID 9058020
(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine
CID 89246077
2-[1-(2,4-difluorophenyl)ethylideneamino]guanidine
CID 78607456
2-[(E)-1-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-4-hydroxyphenyl]ethylideneamino]guanidine
CID 135527034
2-[(E)-1-[2-amino-3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261943
2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine
CID 8825931
2-[(E)-1-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261938

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine (CID 9017468) is 2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine is C/C(=N/N=C(N)N)c1cc(C)ccc1C.
What is the InChIKey of 2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine?
The InChIKey is AZQYIWZSWGQIPJ-ZROIWOOFSA-N. The full InChI is InChI=1S/C11H16N4/c1-7-4-5-8(2)10(6-7)9(3)14-15-11(12)13/h4-6H,1-3H3,(H4,12,13,15)/b14-9-.
What are the key properties of 2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine?
2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine has a molecular weight of 204.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 9017468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).