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

C26H49NSSi — CID 162299101

IUPACN-tert-butyl-N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine
SMILESCC1CC2CCC3SC4CCCCC4C3C2C1[Si](C)(C)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C26H49NSSi/c1-17-16-18-14-15-21-23(19-12-10-11-13-20(19)28-21)22(18)24(17)29(8,9)27(25(2,3)4)26(5,6)7/h17-24H,10-16H2,1-9H3
InChIKeyXZMBCPPNLIOYQY-UHFFFAOYSA-N
MW435.84 g/mol
LogP7.82
Rot. Bonds2

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

N-tert-butyl-N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine (PubChem CID 162299101) has the molecular formula C26H49NSSi and a molecular weight of 435.84 g/mol. Its IUPAC name is N-tert-butyl-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-tert-butyl-N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine
PubChem CID162299101
Molecular FormulaC26H49NSSi
Molecular Weight435.84 g/mol
Exact Mass435.34
IUPAC NameN-tert-butyl-N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine
SMILESCC1CC2CCC3SC4CCCCC4C3C2C1[Si](C)(C)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C26H49NSSi/c1-17-16-18-14-15-21-23(19-12-10-11-13-20(19)28-21)22(18)24(17)29(8,9)27(25(2,3)4)26(5,6)7/h17-24H,10-16H2,1-9H3
InChIKeyXZMBCPPNLIOYQY-UHFFFAOYSA-N
XLogP7.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.84
LogP ≤ 57.82
H-Bond Donors ≤ 50
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-tert-butyl-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-tert-butyl-N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine (CID 162299101) is N-tert-butyl-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-tert-butyl-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-tert-butyl-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)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine?
The InChIKey is XZMBCPPNLIOYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49NSSi/c1-17-16-18-14-15-21-23(19-12-10-11-13-20(19)28-21)22(18)24(17)29(8,9)27(25(2,3)4)26(5,6)7/h17-24H,10-16H2,1-9H3.
What are the key properties of N-tert-butyl-N-[dimethyl-(4-methyl-10-thiatetracyclo[7.7.0.02,6.011,16]hexadecan-3-yl)silyl]-2-methylpropan-2-amine?
N-tert-butyl-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 435.84 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-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 162299101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).