1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine

C20H42N4Si — CID 123823829

IUPAC1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine
SMILES[SiH3]NCC(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C20H42N4Si/c25-21-16-20(22-17-10-4-1-5-11-17,23-18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h17-19,21-24H,1-16H2,25H3
InChIKeyWWDWOQRUUDKHRK-UHFFFAOYSA-N
MW366.67 g/mol
LogP2.28
Rot. Bonds8

About 1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine

1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine (PubChem CID 123823829) has the molecular formula C20H42N4Si and a molecular weight of 366.67 g/mol. Its IUPAC name is 1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine.

Molecular Properties

Compound Name1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine
PubChem CID123823829
Molecular FormulaC20H42N4Si
Molecular Weight366.67 g/mol
Exact Mass366.32
IUPAC Name1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine
SMILES[SiH3]NCC(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C20H42N4Si/c25-21-16-20(22-17-10-4-1-5-11-17,23-18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h17-19,21-24H,1-16H2,25H3
InChIKeyWWDWOQRUUDKHRK-UHFFFAOYSA-N
XLogP2.28
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.67
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine?
The IUPAC name of 1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine (CID 123823829) is 1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine.
What is the SMILES notation for 1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine?
The canonical SMILES for 1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine is [SiH3]NCC(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine?
The InChIKey is WWDWOQRUUDKHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4Si/c25-21-16-20(22-17-10-4-1-5-11-17,23-18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h17-19,21-24H,1-16H2,25H3.
What are the key properties of 1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine?
1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine has a molecular weight of 366.67 g/mol, XLogP of 2.28, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',1-N"-tricyclohexyl-2-N-silylethane-1,1,1,2-tetramine is sourced from PubChem (CID 123823829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).