N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine

C35H62N2Si2 — CID 23230013

IUPACN-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N[Si](C)(C)C1C(CCCCCC2CC3C=CC=CC3C2[Si](C)(C)NC(C)(C)C)CC2C=CC=CC21
InChIInChI=1S/C35H62N2Si2/c1-34(2,3)36-38(7,8)32-28(24-26-18-14-16-22-30(26)32)20-12-11-13-21-29-25-27-19-15-17-23-31(27)33(29)39(9,10)37-35(4,5)6/h14-19,22-23,26-33,36-37H,11-13,20-21,24-25H2,1-10H3
InChIKeyQPNZCUSWQBLJPF-UHFFFAOYSA-N
MW567.07 g/mol
LogP9.62
Rot. Bonds10

About N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine

N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine (PubChem CID 23230013) has the molecular formula C35H62N2Si2 and a molecular weight of 567.07 g/mol. Its IUPAC name is N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine
PubChem CID23230013
Molecular FormulaC35H62N2Si2
Molecular Weight567.07 g/mol
Exact Mass566.45
IUPAC NameN-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N[Si](C)(C)C1C(CCCCCC2CC3C=CC=CC3C2[Si](C)(C)NC(C)(C)C)CC2C=CC=CC21
InChIInChI=1S/C35H62N2Si2/c1-34(2,3)36-38(7,8)32-28(24-26-18-14-16-22-30(26)32)20-12-11-13-21-29-25-27-19-15-17-23-31(27)33(29)39(9,10)37-35(4,5)6/h14-19,22-23,26-33,36-37H,11-13,20-21,24-25H2,1-10H3
InChIKeyQPNZCUSWQBLJPF-UHFFFAOYSA-N
XLogP9.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.07
LogP ≤ 59.62
H-Bond Donors ≤ 52
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

N-[2,3,3a,7a-tetrahydro-1H-inden-1-yloxy(dimethyl)silyl]-2-methylpropan-2-amine
CID 72519678
1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 146199533
N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine
CID 140875543
carbanide;dichlorozirconium(2+);dimethyl-bis[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
CID 162279932
(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 156675189
1-bromo-2-ethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 91609327
carbanide;dichlorozirconium(2+);dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 162298480
7-methylbicyclo[4.2.0]octa-2,4-diene
CID 14703991
1-butyl-3-(2-cyclopentylethyl)-2,3,3a,7a-tetrahydro-1H-indene
CID 162270743
tert-butyl-dimethyl-[(1-methyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)oxy]silane
CID 20678371
1-[4-(6-methylcyclohexa-2,4-dien-1-yl)butyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 142578265
carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)
CID 162298138

Frequently Asked Questions

What is the IUPAC name of N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine (CID 23230013) is N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine is CC(C)(C)N[Si](C)(C)C1C(CCCCCC2CC3C=CC=CC3C2[Si](C)(C)NC(C)(C)C)CC2C=CC=CC21.
What is the InChIKey of N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine?
The InChIKey is QPNZCUSWQBLJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62N2Si2/c1-34(2,3)36-38(7,8)32-28(24-26-18-14-16-22-30(26)32)20-12-11-13-21-29-25-27-19-15-17-23-31(27)33(29)39(9,10)37-35(4,5)6/h14-19,22-23,26-33,36-37H,11-13,20-21,24-25H2,1-10H3.
What are the key properties of N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine?
N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine has a molecular weight of 567.07 g/mol, XLogP of 9.62, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[5-[1-[(tert-butylamino)-dimethylsilyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]pentyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]-2-methylpropan-2-amine is sourced from PubChem (CID 23230013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).