(4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine

C24H37N — CID 139470404

IUPAC(4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine
SMILESNC1=C[C@H]2C(CC1)[C@H]1CCCCC1C21C2CCCCC2[C@H]2CCCC21
InChIInChI=1S/C24H37N/c25-15-12-13-19-17-7-2-4-10-21(17)24(23(19)14-15)20-9-3-1-6-16(20)18-8-5-11-22(18)24/h14,16-23H,1-13,25H2/t16?,17-,18-,19?,20?,21?,22?,23+,24?/m1/s1
InChIKeyKWKYQCAKGPKUFO-YDCXFKTESA-N
MW339.57 g/mol
LogP5.90
Rot. Bonds

About (4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine

(4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine (PubChem CID 139470404) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is (4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine.

Molecular Properties

Compound Name(4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine
PubChem CID139470404
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Name(4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine
SMILESNC1=C[C@H]2C(CC1)[C@H]1CCCCC1C21C2CCCCC2[C@H]2CCCC21
InChIInChI=1S/C24H37N/c25-15-12-13-19-17-7-2-4-10-21(17)24(23(19)14-15)20-9-3-1-6-16(20)18-8-5-11-22(18)24/h14,16-23H,1-13,25H2/t16?,17-,18-,19?,20?,21?,22?,23+,24?/m1/s1
InChIKeyKWKYQCAKGPKUFO-YDCXFKTESA-N
XLogP5.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine?
The IUPAC name of (4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine (CID 139470404) is (4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine.
What is the SMILES notation for (4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine?
The canonical SMILES for (4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine is NC1=C[C@H]2C(CC1)[C@H]1CCCCC1C21C2CCCCC2[C@H]2CCCC21.
What is the InChIKey of (4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine?
The InChIKey is KWKYQCAKGPKUFO-YDCXFKTESA-N. The full InChI is InChI=1S/C24H37N/c25-15-12-13-19-17-7-2-4-10-21(17)24(23(19)14-15)20-9-3-1-6-16(20)18-8-5-11-22(18)24/h14,16-23H,1-13,25H2/t16?,17-,18-,19?,20?,21?,22?,23+,24?/m1/s1.
What are the key properties of (4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine?
(4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine has a molecular weight of 339.57 g/mol, XLogP of 5.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4'bR,8bR,9'aR)-spiro[2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene-4,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine is sourced from PubChem (CID 139470404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).