CID 67792760

C18H30NOSi — CID 67792760

IUPAC—
SMILESC[Si](C)OCC1C(C(C)(C)C)CCN1Cc1ccccc1
InChIInChI=1S/C18H30NOSi/c1-18(2,3)16-11-12-19(17(16)14-20-21(4)5)13-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3
InChIKeyBQXDHBKIEGUYLL-UHFFFAOYSA-N
MW304.53 g/mol
LogP4.19
Rot. Bonds5

About CID 67792760

CID 67792760 (PubChem CID 67792760) has the molecular formula C18H30NOSi and a molecular weight of 304.53 g/mol.

Molecular Properties

Compound NameCID 67792760
PubChem CID67792760
Molecular FormulaC18H30NOSi
Molecular Weight304.53 g/mol
Exact Mass304.21
IUPAC Name—
SMILESC[Si](C)OCC1C(C(C)(C)C)CCN1Cc1ccccc1
InChIInChI=1S/C18H30NOSi/c1-18(2,3)16-11-12-19(17(16)14-20-21(4)5)13-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3
InChIKeyBQXDHBKIEGUYLL-UHFFFAOYSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
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1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 57385481
tert-butyl (2R,3R)-2-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 124925235
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
[(2S,3R,4S)-1-benzyl-2,3-dimethylpiperidin-4-yl] acetate
CID 715182
[1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol
CID 85281487
1-benzyl-N-methylazetidin-2-amine
CID 57429452

Frequently Asked Questions

What is the IUPAC name of CID 67792760?
The IUPAC name of CID 67792760 (CID 67792760) is not available.
What is the SMILES notation for CID 67792760?
The canonical SMILES for CID 67792760 is C[Si](C)OCC1C(C(C)(C)C)CCN1Cc1ccccc1.
What is the InChIKey of CID 67792760?
The InChIKey is BQXDHBKIEGUYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NOSi/c1-18(2,3)16-11-12-19(17(16)14-20-21(4)5)13-15-9-7-6-8-10-15/h6-10,16-17H,11-14H2,1-5H3.
What are the key properties of CID 67792760?
CID 67792760 has a molecular weight of 304.53 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67792760 is sourced from PubChem (CID 67792760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).