N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine

C30H45NSi — CID 89165196

IUPACN-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine
SMILESCCN(C(C)(C)C)[Si](c1ccc(C)cc1)(c1ccc(C)cc1)C1C(C)CC2CCCCC21
InChIInChI=1S/C30H45NSi/c1-8-31(30(5,6)7)32(26-17-13-22(2)14-18-26,27-19-15-23(3)16-20-27)29-24(4)21-25-11-9-10-12-28(25)29/h13-20,24-25,28-29H,8-12,21H2,1-7H3
InChIKeyCSKIVADVZHCFEX-UHFFFAOYSA-N
MW447.78 g/mol
LogP6.70
Rot. Bonds5

About N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine

N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine (PubChem CID 89165196) has the molecular formula C30H45NSi and a molecular weight of 447.78 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine
PubChem CID89165196
Molecular FormulaC30H45NSi
Molecular Weight447.78 g/mol
Exact Mass447.33
IUPAC NameN-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine
SMILESCCN(C(C)(C)C)[Si](c1ccc(C)cc1)(c1ccc(C)cc1)C1C(C)CC2CCCCC21
InChIInChI=1S/C30H45NSi/c1-8-31(30(5,6)7)32(26-17-13-22(2)14-18-26,27-19-15-23(3)16-20-27)29-24(4)21-25-11-9-10-12-28(25)29/h13-20,24-25,28-29H,8-12,21H2,1-7H3
InChIKeyCSKIVADVZHCFEX-UHFFFAOYSA-N
XLogP6.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.78
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine?
The IUPAC name of N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine (CID 89165196) is N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine is CCN(C(C)(C)C)[Si](c1ccc(C)cc1)(c1ccc(C)cc1)C1C(C)CC2CCCCC21.
What is the InChIKey of N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine?
The InChIKey is CSKIVADVZHCFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NSi/c1-8-31(30(5,6)7)32(26-17-13-22(2)14-18-26,27-19-15-23(3)16-20-27)29-24(4)21-25-11-9-10-12-28(25)29/h13-20,24-25,28-29H,8-12,21H2,1-7H3.
What are the key properties of N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine?
N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine has a molecular weight of 447.78 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-bis(4-methylphenyl)silyl]propan-2-amine is sourced from PubChem (CID 89165196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).