N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine

C22H41NSSi — CID 153445205

IUPACN-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine
SMILESCC1CC2CCC3SC4CCCCC4C3C2C1[Si](C)(C)NC(C)(C)C
InChIInChI=1S/C22H41NSSi/c1-14-13-15-11-12-18-20(16-9-7-8-10-17(16)24-18)19(15)21(14)25(5,6)23-22(2,3)4/h14-21,23H,7-13H2,1-6H3
InChIKeyPDEZCQRBVWCXGR-UHFFFAOYSA-N
MW379.73 g/mol
LogP6.31
Rot. Bonds2

About N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine

N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine (PubChem CID 153445205) has the molecular formula C22H41NSSi and a molecular weight of 379.73 g/mol. Its IUPAC name is N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine
PubChem CID153445205
Molecular FormulaC22H41NSSi
Molecular Weight379.73 g/mol
Exact Mass379.27
IUPAC NameN-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine
SMILESCC1CC2CCC3SC4CCCCC4C3C2C1[Si](C)(C)NC(C)(C)C
InChIInChI=1S/C22H41NSSi/c1-14-13-15-11-12-18-20(16-9-7-8-10-17(16)24-18)19(15)21(14)25(5,6)23-22(2,3)4/h14-21,23H,7-13H2,1-6H3
InChIKeyPDEZCQRBVWCXGR-UHFFFAOYSA-N
XLogP6.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.73
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine?
The IUPAC name of N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine (CID 153445205) is N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine is CC1CC2CCC3SC4CCCCC4C3C2C1[Si](C)(C)NC(C)(C)C.
What is the InChIKey of N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine?
The InChIKey is PDEZCQRBVWCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NSSi/c1-14-13-15-11-12-18-20(16-9-7-8-10-17(16)24-18)19(15)21(14)25(5,6)23-22(2,3)4/h14-21,23H,7-13H2,1-6H3.
What are the key properties of N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine?
N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine has a molecular weight of 379.73 g/mol, XLogP of 6.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 153445205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).