2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine

C11H19N5O — CID 69217811

IUPAC2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine
SMILESCC(C)(C)c1cocc1C/N=C(\N)N=C(N)N
InChIInChI=1S/C11H19N5O/c1-11(2,3)8-6-17-5-7(8)4-15-10(14)16-9(12)13/h5-6H,4H2,1-3H3,(H6,12,13,14,15,16)
InChIKeyAUZZTOLKZRQDJU-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.67
Rot. Bonds2

About 2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine

2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine (PubChem CID 69217811) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine
PubChem CID69217811
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine
SMILESCC(C)(C)c1cocc1C/N=C(\N)N=C(N)N
InChIInChI=1S/C11H19N5O/c1-11(2,3)8-6-17-5-7(8)4-15-10(14)16-9(12)13/h5-6H,4H2,1-3H3,(H6,12,13,14,15,16)
InChIKeyAUZZTOLKZRQDJU-UHFFFAOYSA-N
XLogP0.67
TPSA115.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine (CID 69217811) is 2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine is CC(C)(C)c1cocc1C/N=C(\N)N=C(N)N.
What is the InChIKey of 2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine?
The InChIKey is AUZZTOLKZRQDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(2,3)8-6-17-5-7(8)4-15-10(14)16-9(12)13/h5-6H,4H2,1-3H3,(H6,12,13,14,15,16).
What are the key properties of 2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine?
2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine has a molecular weight of 237.31 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 69217811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).