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

C20H36N2OSi — CID 59057470

IUPACN-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
SMILESCOC1=CC2C(C=C1)C([Si](C)(C)NC(C)(C)C)CC2N1CCCC1
InChIInChI=1S/C20H36N2OSi/c1-20(2,3)21-24(5,6)19-14-18(22-11-7-8-12-22)17-13-15(23-4)9-10-16(17)19/h9-10,13,16-19,21H,7-8,11-12,14H2,1-6H3
InChIKeySXVBJMALJLBUMP-UHFFFAOYSA-N
MW348.61 g/mol
LogP4.15
Rot. Bonds4

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

N-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine (PubChem CID 59057470) has the molecular formula C20H36N2OSi and a molecular weight of 348.61 g/mol. Its IUPAC name is N-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
PubChem CID59057470
Molecular FormulaC20H36N2OSi
Molecular Weight348.61 g/mol
Exact Mass348.26
IUPAC NameN-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
SMILESCOC1=CC2C(C=C1)C([Si](C)(C)NC(C)(C)C)CC2N1CCCC1
InChIInChI=1S/C20H36N2OSi/c1-20(2,3)21-24(5,6)19-14-18(22-11-7-8-12-22)17-13-15(23-4)9-10-16(17)19/h9-10,13,16-19,21H,7-8,11-12,14H2,1-6H3
InChIKeySXVBJMALJLBUMP-UHFFFAOYSA-N
XLogP4.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.61
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine (CID 59057470) is N-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine is COC1=CC2C(C=C1)C([Si](C)(C)NC(C)(C)C)CC2N1CCCC1.
What is the InChIKey of N-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine?
The InChIKey is SXVBJMALJLBUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2OSi/c1-20(2,3)21-24(5,6)19-14-18(22-11-7-8-12-22)17-13-15(23-4)9-10-16(17)19/h9-10,13,16-19,21H,7-8,11-12,14H2,1-6H3.
What are the key properties of N-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine?
N-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine has a molecular weight of 348.61 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine is sourced from PubChem (CID 59057470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).