2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine

C14H20N4O — CID 58997501

IUPAC2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine
SMILESCC(=O)c1cc(/C=N\N=C(N)N)cc(CC(C)C)c1
InChIInChI=1S/C14H20N4O/c1-9(2)4-11-5-12(8-17-18-14(15)16)7-13(6-11)10(3)19/h5-9H,4H2,1-3H3,(H4,15,16,18)/b17-8-
InChIKeyBCFXOIIAPIVVET-IUXPMGMMSA-N
MW260.34 g/mol
LogP1.70
Rot. Bonds5

About 2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine

2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine (PubChem CID 58997501) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine
PubChem CID58997501
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine
SMILESCC(=O)c1cc(/C=N\N=C(N)N)cc(CC(C)C)c1
InChIInChI=1S/C14H20N4O/c1-9(2)4-11-5-12(8-17-18-14(15)16)7-13(6-11)10(3)19/h5-9H,4H2,1-3H3,(H4,15,16,18)/b17-8-
InChIKeyBCFXOIIAPIVVET-IUXPMGMMSA-N
XLogP1.70
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]-2-aminoethanimidamide
CID 172959806
2-[[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]ethanimidamide
CID 58307633
acetic acid;2-[(E)-(3,5-dinitrophenyl)methylideneamino]guanidine
CID 89145272
3-[(diaminomethylidenehydrazinylidene)methyl]-5-methoxybenzoic acid
CID 168592799
2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
CID 140931951
4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
CID 5356929
2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine
CID 140863883
2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880634
3-(2-methylpropyl)benzamide
CID 23130390
2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]propanoic acid
CID 168591032
2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine
CID 168591592
2-[[4-(methylsulfonylmethyl)phenyl]methylideneamino]guanidine
CID 168591897

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine (CID 58997501) is 2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine is CC(=O)c1cc(/C=N\N=C(N)N)cc(CC(C)C)c1.
What is the InChIKey of 2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine?
The InChIKey is BCFXOIIAPIVVET-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)4-11-5-12(8-17-18-14(15)16)7-13(6-11)10(3)19/h5-9H,4H2,1-3H3,(H4,15,16,18)/b17-8-.
What are the key properties of 2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine?
2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine has a molecular weight of 260.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[3-acetyl-5-(2-methylpropyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 58997501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).