CID 136683407

C21H26N2OSi — CID 136683407

IUPAC—
SMILESCCN(CC)c1ccc2c(c1)[Si]c1cc(N(CC)CC)ccc1C2=O
InChIInChI=1S/C21H26N2OSi/c1-5-22(6-2)15-9-11-17-19(13-15)25-20-14-16(23(7-3)8-4)10-12-18(20)21(17)24/h9-14H,5-8H2,1-4H3
InChIKeyFBYSNQARZIAWHV-UHFFFAOYSA-N
MW350.54 g/mol
LogP2.58
Rot. Bonds6

About CID 136683407

CID 136683407 (PubChem CID 136683407) has the molecular formula C21H26N2OSi and a molecular weight of 350.54 g/mol.

Molecular Properties

Compound NameCID 136683407
PubChem CID136683407
Molecular FormulaC21H26N2OSi
Molecular Weight350.54 g/mol
Exact Mass350.18
IUPAC Name—
SMILESCCN(CC)c1ccc2c(c1)[Si]c1cc(N(CC)CC)ccc1C2=O
InChIInChI=1S/C21H26N2OSi/c1-5-22(6-2)15-9-11-17-19(13-15)25-20-14-16(23(7-3)8-4)10-12-18(20)21(17)24/h9-14H,5-8H2,1-4H3
InChIKeyFBYSNQARZIAWHV-UHFFFAOYSA-N
XLogP2.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.54
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 4080326
7-(diethylamino)-4-methyl-1H-naphthalen-2-one
CID 146187300
N,N-diethyl-4-fluoroaniline
CID 592416
4-bis[4-(diethylamino)-2-methylphenyl]arsanyl-N,N-diethyl-3-methylaniline
CID 91746010
2-[4-(diethylamino)-2-methoxyphenyl]naphthalene-1,4-dione
CID 12847598
1-N,1-N-diethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831943
4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine
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2-amino-4-(diethylamino)benzenesulfonamide
CID 79460140
4-N,4-N,2-triethylbenzene-1,4-diamine;hydrochloride
CID 68622660

Frequently Asked Questions

What is the IUPAC name of CID 136683407?
The IUPAC name of CID 136683407 (CID 136683407) is not available.
What is the SMILES notation for CID 136683407?
The canonical SMILES for CID 136683407 is CCN(CC)c1ccc2c(c1)[Si]c1cc(N(CC)CC)ccc1C2=O.
What is the InChIKey of CID 136683407?
The InChIKey is FBYSNQARZIAWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OSi/c1-5-22(6-2)15-9-11-17-19(13-15)25-20-14-16(23(7-3)8-4)10-12-18(20)21(17)24/h9-14H,5-8H2,1-4H3.
What are the key properties of CID 136683407?
CID 136683407 has a molecular weight of 350.54 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136683407 is sourced from PubChem (CID 136683407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).