[14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane

C33H39N2Si+ — CID 169015461

IUPAC[14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane
SMILESCc1cc(C)c2c(c1C)c1c3c(cc(CC(C)(C)C)c4c5ccccc5n2c43)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C33H39N2Si/c1-19-15-20(2)30-27(21(19)3)31-29-24(26(18-34(31)7)36(8,9)10)16-22(17-33(4,5)6)28-23-13-11-12-14-25(23)35(30)32(28)29/h11-16,18H,17H2,1-10H3/q+1
InChIKeyLNOHAGDWWSOUER-UHFFFAOYSA-N
MW491.78 g/mol
LogP7.87
Rot. Bonds2

About [14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane

[14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane (PubChem CID 169015461) has the molecular formula C33H39N2Si+ and a molecular weight of 491.78 g/mol. Its IUPAC name is [14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane.

Molecular Properties

Compound Name[14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane
PubChem CID169015461
Molecular FormulaC33H39N2Si+
Molecular Weight491.78 g/mol
Exact Mass491.29
IUPAC Name[14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane
SMILESCc1cc(C)c2c(c1C)c1c3c(cc(CC(C)(C)C)c4c5ccccc5n2c43)c([Si](C)(C)C)c[n+]1C
InChIInChI=1S/C33H39N2Si/c1-19-15-20(2)30-27(21(19)3)31-29-24(26(18-34(31)7)36(8,9)10)16-22(17-33(4,5)6)28-23-13-11-12-14-25(23)35(30)32(28)29/h11-16,18H,17H2,1-10H3/q+1
InChIKeyLNOHAGDWWSOUER-UHFFFAOYSA-N
XLogP7.87
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.78
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane with MolForge

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Related Compounds

[20,24-bis(2,2-dimethylpropyl)-14,17-dimethyl-9-trimethylsilyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaen-10-yl]-trimethylsilane
CID 169015566
9-(2,2-dimethylpropyl)-15,16,18-trimethyl-13-methylidene-11-[(Z)-1-phenylprop-1-enyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 170229984
(6,9-dimethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl)-trimethylsilane
CID 169015460
[6-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,14,16,18,20,22,24-tridecaen-23-yl]-trimethylsilane
CID 166030354
6-(2,2-dimethylpropyl)-10,11,14-trimethyl-1,16-diaza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 166030018
14,17,24-trimethyl-9-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,12-diaza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8(26),9,11(27),12,14,16,18,20,22,24-tridecaene
CID 169015488
3,5,6,9-tetramethyl-14-phenyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaene
CID 170230857
14-(1-adamantyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaene
CID 170230884
19-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-11-(trifluoromethyl)-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaene
CID 169015431
14-(2,2-dimethylpropyl)-3,5-dimethyl-1,9,11-triazahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaene
CID 170231692
trimethyl-(14,17,22,24-tetramethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaen-9-yl)silane
CID 169015559
22-(2,2-dimethylpropyl)-11,12,15-trimethyl-2-aza-15-azoniaheptacyclo[12.11.1.12,9.03,8.018,26.019,24.013,27]heptacosa-1(26),3,5,7,9(27),10,12,14,16,18,20,22,24-tridecaene
CID 166030344

Frequently Asked Questions

What is the IUPAC name of [14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane?
The IUPAC name of [14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane (CID 169015461) is [14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane.
What is the SMILES notation for [14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane?
The canonical SMILES for [14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane is Cc1cc(C)c2c(c1C)c1c3c(cc(CC(C)(C)C)c4c5ccccc5n2c43)c([Si](C)(C)C)c[n+]1C.
What is the InChIKey of [14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane?
The InChIKey is LNOHAGDWWSOUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N2Si/c1-19-15-20(2)30-27(21(19)3)31-29-24(26(18-34(31)7)36(8,9)10)16-22(17-33(4,5)6)28-23-13-11-12-14-25(23)35(30)32(28)29/h11-16,18H,17H2,1-10H3/q+1.
What are the key properties of [14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane?
[14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane has a molecular weight of 491.78 g/mol, XLogP of 7.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [14-(2,2-dimethylpropyl)-3,5,6,9-tetramethyl-1-aza-9-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaen-11-yl]-trimethylsilane is sourced from PubChem (CID 169015461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).