N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine

C16H29NOSi — CID 59110810

IUPACN-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine
SMILESC[C@@H]1CC2C=CC=CC2[C@@H]1O[Si](C)(C)NC(C)(C)C
InChIInChI=1S/C16H29NOSi/c1-12-11-13-9-7-8-10-14(13)15(12)18-19(5,6)17-16(2,3)4/h7-10,12-15,17H,11H2,1-6H3/t12-,13?,14?,15-/m1/s1
InChIKeyCYZCKTPBNCCWME-XSCHDIRWSA-N
MW279.50 g/mol
LogP3.86
Rot. Bonds3

About N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine

N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine (PubChem CID 59110810) has the molecular formula C16H29NOSi and a molecular weight of 279.50 g/mol. Its IUPAC name is N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine
PubChem CID59110810
Molecular FormulaC16H29NOSi
Molecular Weight279.50 g/mol
Exact Mass279.20
IUPAC NameN-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine
SMILESC[C@@H]1CC2C=CC=CC2[C@@H]1O[Si](C)(C)NC(C)(C)C
InChIInChI=1S/C16H29NOSi/c1-12-11-13-9-7-8-10-14(13)15(12)18-19(5,6)17-16(2,3)4/h7-10,12-15,17H,11H2,1-6H3/t12-,13?,14?,15-/m1/s1
InChIKeyCYZCKTPBNCCWME-XSCHDIRWSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine?
The IUPAC name of N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine (CID 59110810) is N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine is C[C@@H]1CC2C=CC=CC2[C@@H]1O[Si](C)(C)NC(C)(C)C.
What is the InChIKey of N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine?
The InChIKey is CYZCKTPBNCCWME-XSCHDIRWSA-N. The full InChI is InChI=1S/C16H29NOSi/c1-12-11-13-9-7-8-10-14(13)15(12)18-19(5,6)17-16(2,3)4/h7-10,12-15,17H,11H2,1-6H3/t12-,13?,14?,15-/m1/s1.
What are the key properties of N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine?
N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine has a molecular weight of 279.50 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-[[(1R,2R)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy]silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 59110810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).