3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol

C16H39N3O3Si — CID 123866132

IUPAC3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol
SMILESCC(C)N(CCC[Si](C)(OC(C)(C)N)C(C)(C)N)CC(O)CO
InChIInChI=1S/C16H39N3O3Si/c1-13(2)19(11-14(21)12-20)9-8-10-23(7,16(5,6)18)22-15(3,4)17/h13-14,20-21H,8-12,17-18H2,1-7H3
InChIKeyXRPNUHZHRGRIKX-UHFFFAOYSA-N
MW349.59 g/mol
LogP1.00
Rot. Bonds11

About 3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol

3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol (PubChem CID 123866132) has the molecular formula C16H39N3O3Si and a molecular weight of 349.59 g/mol. Its IUPAC name is 3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol
PubChem CID123866132
Molecular FormulaC16H39N3O3Si
Molecular Weight349.59 g/mol
Exact Mass349.28
IUPAC Name3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol
SMILESCC(C)N(CCC[Si](C)(OC(C)(C)N)C(C)(C)N)CC(O)CO
InChIInChI=1S/C16H39N3O3Si/c1-13(2)19(11-14(21)12-20)9-8-10-23(7,16(5,6)18)22-15(3,4)17/h13-14,20-21H,8-12,17-18H2,1-7H3
InChIKeyXRPNUHZHRGRIKX-UHFFFAOYSA-N
XLogP1.00
TPSA104.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.59
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol?
The IUPAC name of 3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol (CID 123866132) is 3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol.
What is the SMILES notation for 3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol?
The canonical SMILES for 3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol is CC(C)N(CCC[Si](C)(OC(C)(C)N)C(C)(C)N)CC(O)CO.
What is the InChIKey of 3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol?
The InChIKey is XRPNUHZHRGRIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H39N3O3Si/c1-13(2)19(11-14(21)12-20)9-8-10-23(7,16(5,6)18)22-15(3,4)17/h13-14,20-21H,8-12,17-18H2,1-7H3.
What are the key properties of 3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol?
3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol has a molecular weight of 349.59 g/mol, XLogP of 1.00, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-aminopropan-2-yl-(2-aminopropan-2-yloxy)-methylsilyl]propyl-propan-2-ylamino]propane-1,2-diol is sourced from PubChem (CID 123866132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).