CID 163912857

C14H18NOSi — CID 163912857

IUPAC—
SMILESCc1cccc2c1[C@]([Si])([C@H]1CCCN1)OCC2
InChIInChI=1S/C14H18NOSi/c1-10-4-2-5-11-7-9-16-14(17,13(10)11)12-6-3-8-15-12/h2,4-5,12,15H,3,6-9H2,1H3/t12-,14-/m1/s1
InChIKeyDAXMRZFEOCFLPQ-TZMCWYRMSA-N
MW244.39 g/mol
LogP1.64
Rot. Bonds1

About CID 163912857

CID 163912857 (PubChem CID 163912857) has the molecular formula C14H18NOSi and a molecular weight of 244.39 g/mol.

Molecular Properties

Compound NameCID 163912857
PubChem CID163912857
Molecular FormulaC14H18NOSi
Molecular Weight244.39 g/mol
Exact Mass244.12
IUPAC Name—
SMILESCc1cccc2c1[C@]([Si])([C@H]1CCCN1)OCC2
InChIInChI=1S/C14H18NOSi/c1-10-4-2-5-11-7-9-16-14(17,13(10)11)12-6-3-8-15-12/h2,4-5,12,15H,3,6-9H2,1H3/t12-,14-/m1/s1
InChIKeyDAXMRZFEOCFLPQ-TZMCWYRMSA-N
XLogP1.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
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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2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
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(1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol
CID 138738593
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(1S)-3,3-dimethyl-1-[(2R)-pyrrolidin-2-yl]-4H-isochromene-1-thiol
CID 165065763
N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline
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CID 90688343

Frequently Asked Questions

What is the IUPAC name of CID 163912857?
The IUPAC name of CID 163912857 (CID 163912857) is not available.
What is the SMILES notation for CID 163912857?
The canonical SMILES for CID 163912857 is Cc1cccc2c1[C@]([Si])([C@H]1CCCN1)OCC2.
What is the InChIKey of CID 163912857?
The InChIKey is DAXMRZFEOCFLPQ-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H18NOSi/c1-10-4-2-5-11-7-9-16-14(17,13(10)11)12-6-3-8-15-12/h2,4-5,12,15H,3,6-9H2,1H3/t12-,14-/m1/s1.
What are the key properties of CID 163912857?
CID 163912857 has a molecular weight of 244.39 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163912857 is sourced from PubChem (CID 163912857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).