N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine

C24H36N2 — CID 102043048

IUPACN,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine
SMILESCC1(C)[C@@H]2CC[C@]3(C[C@@H]3/N=C/C=N/[C@H]3C[C@]34CC[C@@H]3C[C@H]4C3(C)C)[C@H]1C2
InChIInChI=1S/C24H36N2/c1-21(2)15-5-7-23(17(21)11-15)13-19(23)25-9-10-26-20-14-24(20)8-6-16-12-18(24)22(16,3)4/h9-10,15-20H,5-8,11-14H2,1-4H3/b25-9+,26-10+/t15-,16-,17+,18+,19+,20+,23+,24+/m1/s1
InChIKeyCZFSKGJLYZAXGV-GPHNUQTJSA-N
MW352.57 g/mol
LogP5.56
Rot. Bonds3

About N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine

N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine (PubChem CID 102043048) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine
PubChem CID102043048
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC NameN,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine
SMILESCC1(C)[C@@H]2CC[C@]3(C[C@@H]3/N=C/C=N/[C@H]3C[C@]34CC[C@@H]3C[C@H]4C3(C)C)[C@H]1C2
InChIInChI=1S/C24H36N2/c1-21(2)15-5-7-23(17(21)11-15)13-19(23)25-9-10-26-20-14-24(20)8-6-16-12-18(24)22(16,3)4/h9-10,15-20H,5-8,11-14H2,1-4H3/b25-9+,26-10+/t15-,16-,17+,18+,19+,20+,23+,24+/m1/s1
InChIKeyCZFSKGJLYZAXGV-GPHNUQTJSA-N
XLogP5.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine with MolForge

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Related Compounds

2,6,6-trimethyl-2-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 23528933
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
(1R,2S,5R)-2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 98059544
3-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)propanal
CID 177223499
(1S,5R)-2-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 59952678
(1R,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
CID 3034388
(1R,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
CID 11789400
1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
CID 72961616
(1R,5S)-1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
CID 11438240
2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 130151891
CID 101109810
CID 101109810

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine?
The IUPAC name of N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine (CID 102043048) is N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine?
The canonical SMILES for N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine is CC1(C)[C@@H]2CC[C@]3(C[C@@H]3/N=C/C=N/[C@H]3C[C@]34CC[C@@H]3C[C@H]4C3(C)C)[C@H]1C2.
What is the InChIKey of N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine?
The InChIKey is CZFSKGJLYZAXGV-GPHNUQTJSA-N. The full InChI is InChI=1S/C24H36N2/c1-21(2)15-5-7-23(17(21)11-15)13-19(23)25-9-10-26-20-14-24(20)8-6-16-12-18(24)22(16,3)4/h9-10,15-20H,5-8,11-14H2,1-4H3/b25-9+,26-10+/t15-,16-,17+,18+,19+,20+,23+,24+/m1/s1.
What are the key properties of N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine?
N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine has a molecular weight of 352.57 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1S,1'S,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]-1'-yl]ethane-1,2-diimine is sourced from PubChem (CID 102043048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).