2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine

C15H19N5O2 — CID 168591592

IUPAC2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine
SMILESCC(C)CCN1C(=O)c2ccc(C=NN=C(N)N)cc2C1=O
InChIInChI=1S/C15H19N5O2/c1-9(2)5-6-20-13(21)11-4-3-10(7-12(11)14(20)22)8-18-19-15(16)17/h3-4,7-9H,5-6H2,1-2H3,(H4,16,17,19)
InChIKeyIHHZVTATFLYQIS-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.94
Rot. Bonds5

About 2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine

2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine (PubChem CID 168591592) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine
PubChem CID168591592
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine
SMILESCC(C)CCN1C(=O)c2ccc(C=NN=C(N)N)cc2C1=O
InChIInChI=1S/C15H19N5O2/c1-9(2)5-6-20-13(21)11-4-3-10(7-12(11)14(20)22)8-18-19-15(16)17/h3-4,7-9H,5-6H2,1-2H3,(H4,16,17,19)
InChIKeyIHHZVTATFLYQIS-UHFFFAOYSA-N
XLogP0.94
TPSA114.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate
CID 658675
2-Isobutyl-3-oxoisoindoline-4-carboxamide
CID 24937580
2-Methyl-3-oxoisoindoline-4-carboxamide
CID 24937582
Isoindole-1,3-dione, 2-(2,4,6-trimethylbenzyl)-
CID 261856
3-Oxo-2-propylisoindoline-4-carboxamide
CID 3238600
N-[(Z)-cyclopenten-1-ylmethylideneamino]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 44424833
N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 44424834
2-(2-methylpropyl)-1,3-dioxo-N-propyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2993998
2-[(E)-[(1S,7aR)-1-[(1,3-dioxoisoindol-2-yl)methyl]-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-ylidene]amino]guanidine
CID 11728238
2-(3-Methylbutyl)-5-(piperidine-1-carbonyl)isoindole-1,3-dione
CID 24979956
N'-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]oxy}-3-methylbenzenecarboximidamide
CID 9587778
2-[(2,3,4,5,6-Pentamethylphenyl)methyl]isoindole-1,3-dione
CID 2803008

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine (CID 168591592) is 2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine is CC(C)CCN1C(=O)c2ccc(C=NN=C(N)N)cc2C1=O.
What is the InChIKey of 2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine?
The InChIKey is IHHZVTATFLYQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9(2)5-6-20-13(21)11-4-3-10(7-12(11)14(20)22)8-18-19-15(16)17/h3-4,7-9H,5-6H2,1-2H3,(H4,16,17,19).
What are the key properties of 2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine?
2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine has a molecular weight of 301.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylbutyl)-1,3-dioxoisoindol-5-yl]methylideneamino]guanidine is sourced from PubChem (CID 168591592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).