bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane

C18H38N2Si — CID 158507793

IUPACbis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
SMILESC1CCC2CNCCC2C1.C1CCC2CNCCC2C1.[SiH4]
InChIInChI=1S/2C9H17N.H4Si/c2*1-2-4-9-7-10-6-5-8(9)3-1;/h2*8-10H,1-7H2;1H4
InChIKeyHKRCCSVGBDRKKT-UHFFFAOYSA-N
MW310.60 g/mol
LogP2.12
Rot. Bonds

About bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane

bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane (PubChem CID 158507793) has the molecular formula C18H38N2Si and a molecular weight of 310.60 g/mol. Its IUPAC name is bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane.

Molecular Properties

Compound Namebis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
PubChem CID158507793
Molecular FormulaC18H38N2Si
Molecular Weight310.60 g/mol
Exact Mass310.28
IUPAC Namebis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
SMILESC1CCC2CNCCC2C1.C1CCC2CNCCC2C1.[SiH4]
InChIInChI=1S/2C9H17N.H4Si/c2*1-2-4-9-7-10-6-5-8(9)3-1;/h2*8-10H,1-7H2;1H4
InChIKeyHKRCCSVGBDRKKT-UHFFFAOYSA-N
XLogP2.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.60
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;hydrochloride
CID 131638052
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
(8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formic acid
CID 143297207
(3S)-3-cyclohexylpiperidine
CID 7016473
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane
CID 143297123
3-cyclohexylpyrrolidine;methanethioamide
CID 161183886
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;azepane;ethane;propane
CID 143167728
CID 172701380
CID 172701380

Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane?
The IUPAC name of bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane (CID 158507793) is bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane.
What is the SMILES notation for bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane?
The canonical SMILES for bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane is C1CCC2CNCCC2C1.C1CCC2CNCCC2C1.[SiH4].
What is the InChIKey of bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane?
The InChIKey is HKRCCSVGBDRKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17N.H4Si/c2*1-2-4-9-7-10-6-5-8(9)3-1;/h2*8-10H,1-7H2;1H4.
What are the key properties of bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane?
bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane has a molecular weight of 310.60 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane is sourced from PubChem (CID 158507793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).