1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine

C13H34N4Si — CID 123271781

IUPAC1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine
SMILESCC(C)NC(CCCN[SiH3])(NC(C)C)NC(C)C
InChIInChI=1S/C13H34N4Si/c1-10(2)15-13(16-11(3)4,17-12(5)6)8-7-9-14-18/h10-12,14-17H,7-9H2,1-6,18H3
InChIKeyOMOGOEUFLNCATC-UHFFFAOYSA-N
MW274.53 g/mol
LogP0.28
Rot. Bonds10

About 1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine

1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine (PubChem CID 123271781) has the molecular formula C13H34N4Si and a molecular weight of 274.53 g/mol. Its IUPAC name is 1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine.

Molecular Properties

Compound Name1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine
PubChem CID123271781
Molecular FormulaC13H34N4Si
Molecular Weight274.53 g/mol
Exact Mass274.26
IUPAC Name1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine
SMILESCC(C)NC(CCCN[SiH3])(NC(C)C)NC(C)C
InChIInChI=1S/C13H34N4Si/c1-10(2)15-13(16-11(3)4,17-12(5)6)8-7-9-14-18/h10-12,14-17H,7-9H2,1-6,18H3
InChIKeyOMOGOEUFLNCATC-UHFFFAOYSA-N
XLogP0.28
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.53
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine?
The IUPAC name of 1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine (CID 123271781) is 1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine.
What is the SMILES notation for 1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine?
The canonical SMILES for 1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine is CC(C)NC(CCCN[SiH3])(NC(C)C)NC(C)C.
What is the InChIKey of 1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine?
The InChIKey is OMOGOEUFLNCATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H34N4Si/c1-10(2)15-13(16-11(3)4,17-12(5)6)8-7-9-14-18/h10-12,14-17H,7-9H2,1-6,18H3.
What are the key properties of 1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine?
1-N,1-N',1-N"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine has a molecular weight of 274.53 g/mol, XLogP of 0.28, 10 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"-tri(propan-2-yl)-4-N-silylbutane-1,1,1,4-tetramine is sourced from PubChem (CID 123271781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).