spiro[cyclopentane-1,9'-fluorene]-4'-amine

C17H17N — CID 137417428

IUPACspiro[cyclopentane-1,9'-fluorene]-4'-amine
SMILESNc1cccc2c1-c1ccccc1C21CCCC1
InChIInChI=1S/C17H17N/c18-15-9-5-8-14-16(15)12-6-1-2-7-13(12)17(14)10-3-4-11-17/h1-2,5-9H,3-4,10-11,18H2
InChIKeyCTSTUGLDAHWHPL-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.11
Rot. Bonds

About spiro[cyclopentane-1,9'-fluorene]-4'-amine

spiro[cyclopentane-1,9'-fluorene]-4'-amine (PubChem CID 137417428) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is spiro[cyclopentane-1,9'-fluorene]-4'-amine.

Molecular Properties

Compound Namespiro[cyclopentane-1,9'-fluorene]-4'-amine
PubChem CID137417428
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Namespiro[cyclopentane-1,9'-fluorene]-4'-amine
SMILESNc1cccc2c1-c1ccccc1C21CCCC1
InChIInChI=1S/C17H17N/c18-15-9-5-8-14-16(15)12-6-1-2-7-13(12)17(14)10-3-4-11-17/h1-2,5-9H,3-4,10-11,18H2
InChIKeyCTSTUGLDAHWHPL-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[cyclopentane-1,9'-fluorene]-4'-amine?
The IUPAC name of spiro[cyclopentane-1,9'-fluorene]-4'-amine (CID 137417428) is spiro[cyclopentane-1,9'-fluorene]-4'-amine.
What is the SMILES notation for spiro[cyclopentane-1,9'-fluorene]-4'-amine?
The canonical SMILES for spiro[cyclopentane-1,9'-fluorene]-4'-amine is Nc1cccc2c1-c1ccccc1C21CCCC1.
What is the InChIKey of spiro[cyclopentane-1,9'-fluorene]-4'-amine?
The InChIKey is CTSTUGLDAHWHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c18-15-9-5-8-14-16(15)12-6-1-2-7-13(12)17(14)10-3-4-11-17/h1-2,5-9H,3-4,10-11,18H2.
What are the key properties of spiro[cyclopentane-1,9'-fluorene]-4'-amine?
spiro[cyclopentane-1,9'-fluorene]-4'-amine has a molecular weight of 235.33 g/mol, XLogP of 4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclopentane-1,9'-fluorene]-4'-amine is sourced from PubChem (CID 137417428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).