2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine

C17H20N6O2 — CID 11244715

IUPAC2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine
SMILESCON/C(N)=N/c1ccc2c(c1)Cc1cc(/N=C(\N)NOC)ccc1-2
InChIInChI=1S/C17H20N6O2/c1-24-22-16(18)20-12-3-5-14-10(8-12)7-11-9-13(4-6-15(11)14)21-17(19)23-25-2/h3-6,8-9H,7H2,1-2H3,(H3,18,20,22)(H3,19,21,23)
InChIKeyPCPQAWXXXAHYKI-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.45
Rot. Bonds4

About 2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine

2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine (PubChem CID 11244715) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine.

Molecular Properties

Compound Name2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine
PubChem CID11244715
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine
SMILESCON/C(N)=N/c1ccc2c(c1)Cc1cc(/N=C(\N)NOC)ccc1-2
InChIInChI=1S/C17H20N6O2/c1-24-22-16(18)20-12-3-5-14-10(8-12)7-11-9-13(4-6-15(11)14)21-17(19)23-25-2/h3-6,8-9H,7H2,1-2H3,(H3,18,20,22)(H3,19,21,23)
InChIKeyPCPQAWXXXAHYKI-UHFFFAOYSA-N
XLogP1.45
TPSA119.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.45
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine?
The IUPAC name of 2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine (CID 11244715) is 2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine.
What is the SMILES notation for 2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine?
The canonical SMILES for 2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine is CON/C(N)=N/c1ccc2c(c1)Cc1cc(/N=C(\N)NOC)ccc1-2.
What is the InChIKey of 2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine?
The InChIKey is PCPQAWXXXAHYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-24-22-16(18)20-12-3-5-14-10(8-12)7-11-9-13(4-6-15(11)14)21-17(19)23-25-2/h3-6,8-9H,7H2,1-2H3,(H3,18,20,22)(H3,19,21,23).
What are the key properties of 2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine?
2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine has a molecular weight of 340.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine is sourced from PubChem (CID 11244715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).