3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine

C20H27NSi — CID 138981634

IUPAC3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1c2ccccc2[Si](C)(C)c2ccccc21
InChIInChI=1S/C20H27NSi/c1-21(2)15-9-12-16-17-10-5-7-13-19(17)22(3,4)20-14-8-6-11-18(16)20/h5-8,10-11,13-14,16H,9,12,15H2,1-4H3
InChIKeyBGSLKZQVYNCUHN-UHFFFAOYSA-N
MW309.53 g/mol
LogP3.30
Rot. Bonds4

About 3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine

3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine (PubChem CID 138981634) has the molecular formula C20H27NSi and a molecular weight of 309.53 g/mol. Its IUPAC name is 3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine
PubChem CID138981634
Molecular FormulaC20H27NSi
Molecular Weight309.53 g/mol
Exact Mass309.19
IUPAC Name3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1c2ccccc2[Si](C)(C)c2ccccc21
InChIInChI=1S/C20H27NSi/c1-21(2)15-9-12-16-17-10-5-7-13-19(17)22(3,4)20-14-8-6-11-18(16)20/h5-8,10-11,13-14,16H,9,12,15H2,1-4H3
InChIKeyBGSLKZQVYNCUHN-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine (CID 138981634) is 3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCC1c2ccccc2[Si](C)(C)c2ccccc21.
What is the InChIKey of 3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is BGSLKZQVYNCUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NSi/c1-21(2)15-9-12-16-17-10-5-7-13-19(17)22(3,4)20-14-8-6-11-18(16)20/h5-8,10-11,13-14,16H,9,12,15H2,1-4H3.
What are the key properties of 3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine?
3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 309.53 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-10H-benzo[b][1]benzosilin-10-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 138981634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).