(9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine

C25H31N — CID 139470389

IUPAC(9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine
SMILESNC1=C[C@H]2C(CC1)C1CCCCC1C21C2=C(C=CCC2)C2=C1CCC=C2
InChIInChI=1S/C25H31N/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/h1-2,7-8,15,19-20,23-24H,3-6,9-14,26H2/t19?,20?,23?,24-/m0/s1
InChIKeyWSBUSAOGNQSOQB-RRTRMPBKSA-N
MW345.53 g/mol
LogP5.97
Rot. Bonds

About (9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine

(9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine (PubChem CID 139470389) has the molecular formula C25H31N and a molecular weight of 345.53 g/mol. Its IUPAC name is (9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine.

Molecular Properties

Compound Name(9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine
PubChem CID139470389
Molecular FormulaC25H31N
Molecular Weight345.53 g/mol
Exact Mass345.25
IUPAC Name(9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine
SMILESNC1=C[C@H]2C(CC1)C1CCCCC1C21C2=C(C=CCC2)C2=C1CCC=C2
InChIInChI=1S/C25H31N/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/h1-2,7-8,15,19-20,23-24H,3-6,9-14,26H2/t19?,20?,23?,24-/m0/s1
InChIKeyWSBUSAOGNQSOQB-RRTRMPBKSA-N
XLogP5.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

(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
2-[(3S)-3-methylcyclohexen-1-yl]cyclohexa-1,3-dien-1-amine
CID 89394707
17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene
CID 142058963
cyclopentene-1,3-diamine
CID 23568360
N-(1,4,4-trimethyl-3a,4a,7,8,8a,8b-hexahydro-1H-cyclopenta[a]inden-2-yl)spiro[1,2,4a,4b,7,8,8a,9a-octahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine
CID 139470302
13-[(4aS)-1'-methyl-2'-[(2R)-2-methylbutyl]spiro[1,2,3,4,4a,7,8,9a-octahydrofluorene-9,3'-1,2,4,5,6,7-hexahydroindene]-5'-yl]-13-phosphaheptacyclo[12.9.2.11,8.02,7.017,24.018,23.012,26]hexacos-21-ene
CID 70998316
12,12-dimethyl-2,4a,5,5a,10,11,12b,12c-octahydro-1H-indeno[1,2-c]carbazole
CID 139550708
4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine
CID 174584094
(1S)-1,2,3,4,5,6-hexahydronaphthalen-1-amine
CID 143343680
1,2,3,4,5,6-hexahydronaphthalen-1-amine
CID 139483013
2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide
CID 173256661
9,9'-spirobi[1,2,3,4,4a,4b,7,8,8a,9a-decahydrofluorene]-2'-amine
CID 135218312

Frequently Asked Questions

What is the IUPAC name of (9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine?
The IUPAC name of (9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine (CID 139470389) is (9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine.
What is the SMILES notation for (9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine?
The canonical SMILES for (9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine is NC1=C[C@H]2C(CC1)C1CCCCC1C21C2=C(C=CCC2)C2=C1CCC=C2.
What is the InChIKey of (9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine?
The InChIKey is WSBUSAOGNQSOQB-RRTRMPBKSA-N. The full InChI is InChI=1S/C25H31N/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/h1-2,7-8,15,19-20,23-24H,3-6,9-14,26H2/t19?,20?,23?,24-/m0/s1.
What are the key properties of (9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine?
(9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine has a molecular weight of 345.53 g/mol, XLogP of 5.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9'aR)-spiro[1,2,7,8-tetrahydrofluorene-9,9'-3,4,4a,4b,5,6,7,8,8a,9a-decahydrofluorene]-2'-amine is sourced from PubChem (CID 139470389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).