9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine

C25H37N — CID 135218312

IUPAC9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine
SMILESNC1CCC2C3C=CCCC3C3(C4CCC=CC4C4CCCCC43)C2C1
InChIInChI=1S/C25H37N/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1,3,7,9,16-24H,2,4-6,8,10-15,26H2
InChIKeySNFKLBZTHKHGBR-UHFFFAOYSA-N
MW351.58 g/mol
LogP5.71
Rot. Bonds

About 9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine

9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine (PubChem CID 135218312) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is 9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine.

Molecular Properties

Compound Name9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine
PubChem CID135218312
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Name9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine
SMILESNC1CCC2C3C=CCCC3C3(C4CCC=CC4C4CCCCC43)C2C1
InChIInChI=1S/C25H37N/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1,3,7,9,16-24H,2,4-6,8,10-15,26H2
InChIKeySNFKLBZTHKHGBR-UHFFFAOYSA-N
XLogP5.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine?
The IUPAC name of 9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine (CID 135218312) is 9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine.
What is the SMILES notation for 9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine?
The canonical SMILES for 9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine is NC1CCC2C3C=CCCC3C3(C4CCC=CC4C4CCCCC43)C2C1.
What is the InChIKey of 9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine?
The InChIKey is SNFKLBZTHKHGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1,3,7,9,16-24H,2,4-6,8,10-15,26H2.
What are the key properties of 9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine?
9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine has a molecular weight of 351.58 g/mol, XLogP of 5.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine is sourced from PubChem (CID 135218312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).