N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine

C26H45NOSi — CID 153475989

IUPACN-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine
SMILESCC1=CC([Si](C)(CCCCCCOC(C)(C)C)NC(C)(C)C)c2cccc(C)c21
InChIInChI=1S/C26H45NOSi/c1-20-15-14-16-22-23(19-21(2)24(20)22)29(9,27-25(3,4)5)18-13-11-10-12-17-28-26(6,7)8/h14-16,19,23,27H,10-13,17-18H2,1-9H3
InChIKeyDYVVLSTXNMBNGK-UHFFFAOYSA-N
MW415.74 g/mol
LogP7.37
Rot. Bonds9

About N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine

N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine (PubChem CID 153475989) has the molecular formula C26H45NOSi and a molecular weight of 415.74 g/mol. Its IUPAC name is N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine
PubChem CID153475989
Molecular FormulaC26H45NOSi
Molecular Weight415.74 g/mol
Exact Mass415.33
IUPAC NameN-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine
SMILESCC1=CC([Si](C)(CCCCCCOC(C)(C)C)NC(C)(C)C)c2cccc(C)c21
InChIInChI=1S/C26H45NOSi/c1-20-15-14-16-22-23(19-21(2)24(20)22)29(9,27-25(3,4)5)18-13-11-10-12-17-28-26(6,7)8/h14-16,19,23,27H,10-13,17-18H2,1-9H3
InChIKeyDYVVLSTXNMBNGK-UHFFFAOYSA-N
XLogP7.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.74
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[methyl-(3-methyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]propan-2-amine
CID 153475988
2-methyl-N-[methyl-(2-methyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]propan-2-amine
CID 169279364
N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine
CID 140733141
2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,3,4,5-tetramethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine
CID 164779465
2-methyl-N-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]propan-2-amine
CID 164779479
2-methyl-N-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]-(2,3,4,5-tetramethylcyclopentyl)silyl]propan-2-amine
CID 177129992
9H-fluoren-9-ylmethyl N-[5-[(2-methylpropan-2-yl)oxy]pentyl]carbamate
CID 176788717
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-dimethyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 140876104
trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane
CID 178090504
carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)
CID 159748009
N-[(4-cyclohexyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine
CID 171591079
methyl-bis(5-methyl-10H-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 140721281

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine (CID 153475989) is N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine is CC1=CC([Si](C)(CCCCCCOC(C)(C)C)NC(C)(C)C)c2cccc(C)c21.
What is the InChIKey of N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine?
The InChIKey is DYVVLSTXNMBNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NOSi/c1-20-15-14-16-22-23(19-21(2)24(20)22)29(9,27-25(3,4)5)18-13-11-10-12-17-28-26(6,7)8/h14-16,19,23,27H,10-13,17-18H2,1-9H3.
What are the key properties of N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine?
N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine has a molecular weight of 415.74 g/mol, XLogP of 7.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethyl-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 153475989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).