3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine

C10H29NO12Si8 — CID 58718104

IUPAC3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine
SMILESC[Si]12O[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(O2)O[Si](C)(O3)O[Si](CCCN)(O4)O1
InChIInChI=1S/C10H29NO12Si8/c1-24-12-25(2)15-28(5)17-26(3,13-24)19-30(7)20-27(4,14-24)18-29(6,16-25)22-31(21-28,23-30)10-8-9-11/h8-11H2,1-7H3
InChIKeyCHCGKYKFMLUNAC-UHFFFAOYSA-N
MW580.03 g/mol
LogP0.52
Rot. Bonds3

About 3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine

3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine (PubChem CID 58718104) has the molecular formula C10H29NO12Si8 and a molecular weight of 580.03 g/mol. Its IUPAC name is 3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine
PubChem CID58718104
Molecular FormulaC10H29NO12Si8
Molecular Weight580.03 g/mol
Exact Mass578.98
IUPAC Name3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine
SMILESC[Si]12O[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(O2)O[Si](C)(O3)O[Si](CCCN)(O4)O1
InChIInChI=1S/C10H29NO12Si8/c1-24-12-25(2)15-28(5)17-26(3,13-24)19-30(7)20-27(4,14-24)18-29(6,16-25)22-31(21-28,23-30)10-8-9-11/h8-11H2,1-7H3
InChIKeyCHCGKYKFMLUNAC-UHFFFAOYSA-N
XLogP0.52
TPSA136.78 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.03
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine with MolForge

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Related Compounds

3-(5,7,13,15-tetramethoxy-3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18-decaoxa-1,3,5,7,9,11,13,15-octasilatricyclo[9.5.1.13,9]octadecan-1-yl)propan-1-amine
CID 71078061
3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine
CID 123422886
3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propyl 2-bromo-2-methylpropanoate
CID 59168998
3-[3,7,14-trihydroxy-3,5,7,9,11,14-hexakis(2-methylpropyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-1-yl]propan-1-amine
CID 69083093
3-[(9S,11S)-13-(3-aminopropyl-hydroxy-methylsilyl)oxy-1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl]propan-1-amine
CID 161126036
4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine
CID 20511037
3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine
CID 125472841
azane;butane-1,4-diamine
CID 87378889
3-(1-methylsilinan-1-yl)propan-1-amine;hydrate
CID 174478746
3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine
CID 167539584
azane;tetrakis(hexane-1,6-diamine);tris(platinum(2+))
CID 11693801
hexane-1,6-diamine;methanamine
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine?
The IUPAC name of 3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine (CID 58718104) is 3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine?
The canonical SMILES for 3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine is C[Si]12O[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(O2)O[Si](C)(O3)O[Si](CCCN)(O4)O1.
What is the InChIKey of 3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine?
The InChIKey is CHCGKYKFMLUNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H29NO12Si8/c1-24-12-25(2)15-28(5)17-26(3,13-24)19-30(7)20-27(4,14-24)18-29(6,16-25)22-31(21-28,23-30)10-8-9-11/h8-11H2,1-7H3.
What are the key properties of 3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine?
3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine has a molecular weight of 580.03 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine is sourced from PubChem (CID 58718104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).