CID 69202052

C23H37N2OSi — CID 69202052

IUPAC—
SMILESC[Si](C)OC[C@H](CCCNCCCc1ccnc2ccccc12)C(C)(C)C
InChIInChI=1S/C23H37N2OSi/c1-23(2,3)20(18-26-27(4)5)11-9-16-24-15-8-10-19-14-17-25-22-13-7-6-12-21(19)22/h6-7,12-14,17,20,24H,8-11,15-16,18H2,1-5H3/t20-/m0/s1
InChIKeyJXDAKPKKIWOJQJ-FQEVSTJZSA-N
MW385.65 g/mol
LogP5.47
Rot. Bonds11

About CID 69202052

CID 69202052 (PubChem CID 69202052) has the molecular formula C23H37N2OSi and a molecular weight of 385.65 g/mol.

Molecular Properties

Compound NameCID 69202052
PubChem CID69202052
Molecular FormulaC23H37N2OSi
Molecular Weight385.65 g/mol
Exact Mass385.27
IUPAC Name—
SMILESC[Si](C)OC[C@H](CCCNCCCc1ccnc2ccccc12)C(C)(C)C
InChIInChI=1S/C23H37N2OSi/c1-23(2,3)20(18-26-27(4)5)11-9-16-24-15-8-10-19-14-17-25-22-13-7-6-12-21(19)22/h6-7,12-14,17,20,24H,8-11,15-16,18H2,1-5H3/t20-/m0/s1
InChIKeyJXDAKPKKIWOJQJ-FQEVSTJZSA-N
XLogP5.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.65
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine
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5-quinolin-4-ylpentan-1-amine
CID 71089574
3-quinolin-4-ylpropan-1-ol
CID 21218471
5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
CID 115491467
(1-propan-2-yloxy-3-quinolin-4-ylpropan-2-yl)hydrazine
CID 105316331
3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine
CID 114171251
5-(3-chloro-4,4-dimethylpentyl)quinoline
CID 81222032
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
CID 103456262
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983

Frequently Asked Questions

What is the IUPAC name of CID 69202052?
The IUPAC name of CID 69202052 (CID 69202052) is not available.
What is the SMILES notation for CID 69202052?
The canonical SMILES for CID 69202052 is C[Si](C)OC[C@H](CCCNCCCc1ccnc2ccccc12)C(C)(C)C.
What is the InChIKey of CID 69202052?
The InChIKey is JXDAKPKKIWOJQJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H37N2OSi/c1-23(2,3)20(18-26-27(4)5)11-9-16-24-15-8-10-19-14-17-25-22-13-7-6-12-21(19)22/h6-7,12-14,17,20,24H,8-11,15-16,18H2,1-5H3/t20-/m0/s1.
What are the key properties of CID 69202052?
CID 69202052 has a molecular weight of 385.65 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69202052 is sourced from PubChem (CID 69202052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).