[tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium

C41H69N2Si+ — CID 162290206

IUPAC[tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium
SMILESCCCCC1(CCCC)C2=CC3C(C=C2c2cc4c(cc21)C(C)(C)CCC4(C)C)CCC3[Si](C)(C)N(C(C)(C)C)[N+](C)(C)C
InChIInChI=1S/C41H69N2Si/c1-15-17-21-41(22-18-16-2)33-26-30-29(19-20-37(30)44(13,14)42(38(3,4)5)43(10,11)12)25-31(33)32-27-35-36(28-34(32)41)40(8,9)24-23-39(35,6)7/h25-30,37H,15-24H2,1-14H3/q+1
InChIKeyHJXLRJVRNNPOHT-UHFFFAOYSA-N
MW618.10 g/mol
LogP11.31
Rot. Bonds9

About [tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium

[tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium (PubChem CID 162290206) has the molecular formula C41H69N2Si+ and a molecular weight of 618.10 g/mol. Its IUPAC name is [tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium.

Molecular Properties

Compound Name[tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium
PubChem CID162290206
Molecular FormulaC41H69N2Si+
Molecular Weight618.10 g/mol
Exact Mass617.52
IUPAC Name[tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium
SMILESCCCCC1(CCCC)C2=CC3C(C=C2c2cc4c(cc21)C(C)(C)CCC4(C)C)CCC3[Si](C)(C)N(C(C)(C)C)[N+](C)(C)C
InChIInChI=1S/C41H69N2Si/c1-15-17-21-41(22-18-16-2)33-26-30-29(19-20-37(30)44(13,14)42(38(3,4)5)43(10,11)12)25-31(33)32-27-35-36(28-34(32)41)40(8,9)24-23-39(35,6)7/h25-30,37H,15-24H2,1-14H3/q+1
InChIKeyHJXLRJVRNNPOHT-UHFFFAOYSA-N
XLogP11.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.10
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium with MolForge

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Related Compounds

[tert-butyl-[(11,11-didodecyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium
CID 162290516
N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine
CID 162290203
N-tert-butyl-N-[(11,11-didodecyl-15,15,18,18-tetramethyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine
CID 162290520
N-tert-butyl-N-[(11,11-dibutyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine;N-tert-butyl-N-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine;N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine
CID 162290213
N-tert-butyl-N-[(11,11-dibutyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine;N-tert-butyl-N-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine;N-tert-butyl-N-[(6,11,11,15,15,18,18-heptamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine;N-tert-butyl-N-[(11,11,15,15,18,18-hexamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine
CID 162284787
N-tert-butyl-N-[(9,9-dibutyl-7-tert-butyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine
CID 162278948
N-tert-butyl-N-[(11,11-didecyl-6,15,15,18,18-pentamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]cyclohexanamine
CID 162290212
[tert-butyl-[[9,9-dimethyl-7-(N-phenylanilino)-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]amino]-trimethylazanium
CID 162284572
N-tert-butyl-N-[(11,11-didecyl-15,15,18,18-tetramethyl-7-phenyl-5-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine
CID 162284694
N-tert-butyl-N-[(11-dodecyl-6,11,15,15,18,18-hexamethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]-2-methylpropan-2-amine
CID 162290510
N-tert-butyl-N-[(9,9-dihexadecyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-3-yl)-dimethylsilyl]cyclohexanamine
CID 162290585
N-tert-butyl-N-[[7-(4-tert-butylphenoxy)-9,9-dimethyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl]-dimethylsilyl]-2-methylpropan-2-amine;N-tert-butyl-N-[(9,9-dibutyl-7-methoxy-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine;N-tert-butyl-N-[(9,9-dibutyl-7-methoxy-2-methyl-2,3,3a,10a-tetrahydro-1H-cyclopenta[b]fluoren-1-yl)-dimethylsilyl]cyclohexanamine
CID 162279140

Frequently Asked Questions

What is the IUPAC name of [tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium?
The IUPAC name of [tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium (CID 162290206) is [tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium.
What is the SMILES notation for [tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium?
The canonical SMILES for [tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium is CCCCC1(CCCC)C2=CC3C(C=C2c2cc4c(cc21)C(C)(C)CCC4(C)C)CCC3[Si](C)(C)N(C(C)(C)C)[N+](C)(C)C.
What is the InChIKey of [tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium?
The InChIKey is HJXLRJVRNNPOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H69N2Si/c1-15-17-21-41(22-18-16-2)33-26-30-29(19-20-37(30)44(13,14)42(38(3,4)5)43(10,11)12)25-31(33)32-27-35-36(28-34(32)41)40(8,9)24-23-39(35,6)7/h25-30,37H,15-24H2,1-14H3/q+1.
What are the key properties of [tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium?
[tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium has a molecular weight of 618.10 g/mol, XLogP of 11.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl-[(11,11-dibutyl-15,15,18,18-tetramethyl-7-pentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,9,12,14(19)-pentaenyl)-dimethylsilyl]amino]-trimethylazanium is sourced from PubChem (CID 162290206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).