CID 90461645

C15H20N3OSi — CID 90461645

IUPAC—
SMILESCc1ccc(/N=C/Cc2cnn(C)c2)c(O[Si](C)C)c1
InChIInChI=1S/C15H20N3OSi/c1-12-5-6-14(15(9-12)19-20(3)4)16-8-7-13-10-17-18(2)11-13/h5-6,8-11H,7H2,1-4H3/b16-8+
InChIKeyNENXJYSRHTWXFQ-LZYBPNLTSA-N
MW286.43 g/mol
LogP3.30
Rot. Bonds5

About CID 90461645

CID 90461645 (PubChem CID 90461645) has the molecular formula C15H20N3OSi and a molecular weight of 286.43 g/mol.

Molecular Properties

Compound NameCID 90461645
PubChem CID90461645
Molecular FormulaC15H20N3OSi
Molecular Weight286.43 g/mol
Exact Mass286.14
IUPAC Name—
SMILESCc1ccc(/N=C/Cc2cnn(C)c2)c(O[Si](C)C)c1
InChIInChI=1S/C15H20N3OSi/c1-12-5-6-14(15(9-12)19-20(3)4)16-8-7-13-10-17-18(2)11-13/h5-6,8-11H,7H2,1-4H3/b16-8+
InChIKeyNENXJYSRHTWXFQ-LZYBPNLTSA-N
XLogP3.30
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 174773162
CID 174773162
[1-(2-methoxy-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
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[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003530
1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 60890187
6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
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N-(2-methoxy-4-methylphenyl)-2-(3-methylfuran-2-yl)ethanimine
CID 90458687
2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037059
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 97231363
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111388562
1-(2-methoxy-5-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682010
N-(2-methoxy-4-methylphenyl)-1-(1-methylimidazol-4-yl)methanimine
CID 118868224
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002

Frequently Asked Questions

What is the IUPAC name of CID 90461645?
The IUPAC name of CID 90461645 (CID 90461645) is not available.
What is the SMILES notation for CID 90461645?
The canonical SMILES for CID 90461645 is Cc1ccc(/N=C/Cc2cnn(C)c2)c(O[Si](C)C)c1.
What is the InChIKey of CID 90461645?
The InChIKey is NENXJYSRHTWXFQ-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H20N3OSi/c1-12-5-6-14(15(9-12)19-20(3)4)16-8-7-13-10-17-18(2)11-13/h5-6,8-11H,7H2,1-4H3/b16-8+.
What are the key properties of CID 90461645?
CID 90461645 has a molecular weight of 286.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90461645 is sourced from PubChem (CID 90461645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).