4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol

C26H59N3O4Si — CID 90982027

IUPAC4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol
SMILESCCCN(CCC)CC(O)CC(CCN)(CC(O)CN(CCC)CCC)[Si](C)(OCC)OCC
InChIInChI=1S/C26H59N3O4Si/c1-8-16-28(17-9-2)22-24(30)20-26(14-15-27,34(7,32-12-5)33-13-6)21-25(31)23-29(18-10-3)19-11-4/h24-25,30-31H,8-23,27H2,1-7H3
InChIKeyJBIQUMHTHDYUIS-UHFFFAOYSA-N
MW505.86 g/mol
LogP3.97
Rot. Bonds23

About 4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol

4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol (PubChem CID 90982027) has the molecular formula C26H59N3O4Si and a molecular weight of 505.86 g/mol. Its IUPAC name is 4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol.

Molecular Properties

Compound Name4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol
PubChem CID90982027
Molecular FormulaC26H59N3O4Si
Molecular Weight505.86 g/mol
Exact Mass505.43
IUPAC Name4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol
SMILESCCCN(CCC)CC(O)CC(CCN)(CC(O)CN(CCC)CCC)[Si](C)(OCC)OCC
InChIInChI=1S/C26H59N3O4Si/c1-8-16-28(17-9-2)22-24(30)20-26(14-15-27,34(7,32-12-5)33-13-6)21-25(31)23-29(18-10-3)19-11-4/h24-25,30-31H,8-23,27H2,1-7H3
InChIKeyJBIQUMHTHDYUIS-UHFFFAOYSA-N
XLogP3.97
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.86
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol?
The IUPAC name of 4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol (CID 90982027) is 4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol.
What is the SMILES notation for 4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol?
The canonical SMILES for 4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol is CCCN(CCC)CC(O)CC(CCN)(CC(O)CN(CCC)CCC)[Si](C)(OCC)OCC.
What is the InChIKey of 4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol?
The InChIKey is JBIQUMHTHDYUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H59N3O4Si/c1-8-16-28(17-9-2)22-24(30)20-26(14-15-27,34(7,32-12-5)33-13-6)21-25(31)23-29(18-10-3)19-11-4/h24-25,30-31H,8-23,27H2,1-7H3.
What are the key properties of 4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol?
4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol has a molecular weight of 505.86 g/mol, XLogP of 3.97, 23 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol is sourced from PubChem (CID 90982027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).