CID 86042658

C22H30NSi — CID 86042658

IUPAC—
SMILESC[Si](CC1CCCN(Cc2ccccc2)C1(C)C)c1ccccc1
InChIInChI=1S/C22H30NSi/c1-22(2)20(18-24(3)21-14-8-5-9-15-21)13-10-16-23(22)17-19-11-6-4-7-12-19/h4-9,11-12,14-15,20H,10,13,16-18H2,1-3H3
InChIKeyCKGQRTGEHYALJR-UHFFFAOYSA-N
MW336.57 g/mol
LogP4.71
Rot. Bonds5

About CID 86042658

CID 86042658 (PubChem CID 86042658) has the molecular formula C22H30NSi and a molecular weight of 336.57 g/mol.

Molecular Properties

Compound NameCID 86042658
PubChem CID86042658
Molecular FormulaC22H30NSi
Molecular Weight336.57 g/mol
Exact Mass336.21
IUPAC Name—
SMILESC[Si](CC1CCCN(Cc2ccccc2)C1(C)C)c1ccccc1
InChIInChI=1S/C22H30NSi/c1-22(2)20(18-24(3)21-14-8-5-9-15-21)13-10-16-23(22)17-19-11-6-4-7-12-19/h4-9,11-12,14-15,20H,10,13,16-18H2,1-3H3
InChIKeyCKGQRTGEHYALJR-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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[2,2-dimethyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanamine
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CID 10954329
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(3R)-1-benzyl-2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]piperidin-3-amine
CID 97339194
(1R,5S)-2-benzyl-1-methyl-2-azabicyclo[3.1.0]hexane
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CID 11389846
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of CID 86042658?
The IUPAC name of CID 86042658 (CID 86042658) is not available.
What is the SMILES notation for CID 86042658?
The canonical SMILES for CID 86042658 is C[Si](CC1CCCN(Cc2ccccc2)C1(C)C)c1ccccc1.
What is the InChIKey of CID 86042658?
The InChIKey is CKGQRTGEHYALJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30NSi/c1-22(2)20(18-24(3)21-14-8-5-9-15-21)13-10-16-23(22)17-19-11-6-4-7-12-19/h4-9,11-12,14-15,20H,10,13,16-18H2,1-3H3.
What are the key properties of CID 86042658?
CID 86042658 has a molecular weight of 336.57 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86042658 is sourced from PubChem (CID 86042658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).