1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine

C16H40N4Si — CID 123410759

IUPAC1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine
SMILESCCC(C)NC(C)(C)C(N[SiH3])(NC(C)CC)NC(C)CC
InChIInChI=1S/C16H40N4Si/c1-9-12(4)17-15(7,8)16(20-21,18-13(5)10-2)19-14(6)11-3/h12-14,17-20H,9-11H2,1-8,21H3
InChIKeyNVRHQFWPZNDAHM-UHFFFAOYSA-N
MW316.61 g/mol
LogP1.45
Rot. Bonds11

About 1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine

1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine (PubChem CID 123410759) has the molecular formula C16H40N4Si and a molecular weight of 316.61 g/mol. Its IUPAC name is 1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine.

Molecular Properties

Compound Name1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine
PubChem CID123410759
Molecular FormulaC16H40N4Si
Molecular Weight316.61 g/mol
Exact Mass316.30
IUPAC Name1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine
SMILESCCC(C)NC(C)(C)C(N[SiH3])(NC(C)CC)NC(C)CC
InChIInChI=1S/C16H40N4Si/c1-9-12(4)17-15(7,8)16(20-21,18-13(5)10-2)19-14(6)11-3/h12-14,17-20H,9-11H2,1-8,21H3
InChIKeyNVRHQFWPZNDAHM-UHFFFAOYSA-N
XLogP1.45
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.61
LogP ≤ 51.45
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',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine?
The IUPAC name of 1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine (CID 123410759) is 1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine.
What is the SMILES notation for 1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine?
The canonical SMILES for 1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine is CCC(C)NC(C)(C)C(N[SiH3])(NC(C)CC)NC(C)CC.
What is the InChIKey of 1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine?
The InChIKey is NVRHQFWPZNDAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40N4Si/c1-9-12(4)17-15(7,8)16(20-21,18-13(5)10-2)19-14(6)11-3/h12-14,17-20H,9-11H2,1-8,21H3.
What are the key properties of 1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine?
1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine has a molecular weight of 316.61 g/mol, XLogP of 1.45, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',2-N-tri(butan-2-yl)-2-methyl-1-N"-silylpropane-1,1,1,2-tetramine is sourced from PubChem (CID 123410759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).