1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane

C19H32BN — CID 99768700

IUPAC1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane
SMILESC[C@H]1C2C[C@@H]3C[C@H](C2)C[B-]1([N+]12CC4CC(CC(C4)C1)C2)C3
InChIInChI=1S/C19H32BN/c1-13-19-6-14-2-15(7-19)9-20(13,8-14)21-10-16-3-17(11-21)5-18(4-16)12-21/h13-19H,2-12H2,1H3/t13-,14-,15+,16?,17?,18?,19?,20?,21?/m0/s1
InChIKeyWIMXRVNOXBVMOS-MGFGYVECSA-N
MW285.28 g/mol
LogP4.26
Rot. Bonds1

About 1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane

1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane (PubChem CID 99768700) has the molecular formula C19H32BN and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane
PubChem CID99768700
Molecular FormulaC19H32BN
Molecular Weight285.28 g/mol
Exact Mass285.26
IUPAC Name1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane
SMILESC[C@H]1C2C[C@@H]3C[C@H](C2)C[B-]1([N+]12CC4CC(CC(C4)C1)C2)C3
InChIInChI=1S/C19H32BN/c1-13-19-6-14-2-15(7-19)9-20(13,8-14)21-10-16-3-17(11-21)5-18(4-16)12-21/h13-19H,2-12H2,1H3/t13-,14-,15+,16?,17?,18?,19?,20?,21?/m0/s1
InChIKeyWIMXRVNOXBVMOS-MGFGYVECSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane with MolForge

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Related Compounds

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ethane;2-methyladamantane
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(5S)-2-methylbicyclo[3.2.1]octane
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2,5-dimethyl-3-azoniaspiro[2.2]pentane
CID 5247030
CID 22714977
CID 22714977
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
ethane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane
CID 158423545
adamantane;ethane
CID 90892828
2-(2-deuteriopropan-2-yl)adamantane
CID 153320243
1,1-bis(2-adamantyl)ethylphosphane
CID 68580004

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane?
The IUPAC name of 1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane (CID 99768700) is 1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane is C[C@H]1C2C[C@@H]3C[C@H](C2)C[B-]1([N+]12CC4CC(CC(C4)C1)C2)C3.
What is the InChIKey of 1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane?
The InChIKey is WIMXRVNOXBVMOS-MGFGYVECSA-N. The full InChI is InChI=1S/C19H32BN/c1-13-19-6-14-2-15(7-19)9-20(13,8-14)21-10-16-3-17(11-21)5-18(4-16)12-21/h13-19H,2-12H2,1H3/t13-,14-,15+,16?,17?,18?,19?,20?,21?/m0/s1.
What are the key properties of 1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane?
1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane has a molecular weight of 285.28 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S,7R)-2-methyl-1-boranuidatricyclo[3.3.1.13,7]decan-1-yl]-1-azoniatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 99768700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).