4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine

C26H47N3O2Si2 — CID 86624120

IUPAC4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C26H47N3O2Si2/c1-24(2,3)32(9,10)30-18-22(26(7,8)31-33(11,12)25(4,5)6)29-23-19-15-13-14-16-21(19)28-17-20(23)27/h13-17,22H,18,27H2,1-12H3,(H,28,29)/t22-/m1/s1
InChIKeyOINQBSLQFQSSJK-JOCHJYFZSA-N
MW489.85 g/mol
LogP7.42
Rot. Bonds8

About 4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine

4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine (PubChem CID 86624120) has the molecular formula C26H47N3O2Si2 and a molecular weight of 489.85 g/mol. Its IUPAC name is 4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine
PubChem CID86624120
Molecular FormulaC26H47N3O2Si2
Molecular Weight489.85 g/mol
Exact Mass489.32
IUPAC Name4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C26H47N3O2Si2/c1-24(2,3)32(9,10)30-18-22(26(7,8)31-33(11,12)25(4,5)6)29-23-19-15-13-14-16-21(19)28-17-20(23)27/h13-17,22H,18,27H2,1-12H3,(H,28,29)/t22-/m1/s1
InChIKeyOINQBSLQFQSSJK-JOCHJYFZSA-N
XLogP7.42
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.85
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine?
The IUPAC name of 4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine (CID 86624120) is 4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine is CC(C)(O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)Nc1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine?
The InChIKey is OINQBSLQFQSSJK-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H47N3O2Si2/c1-24(2,3)32(9,10)30-18-22(26(7,8)31-33(11,12)25(4,5)6)29-23-19-15-13-14-16-21(19)28-17-20(23)27/h13-17,22H,18,27H2,1-12H3,(H,28,29)/t22-/m1/s1.
What are the key properties of 4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine?
4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine has a molecular weight of 489.85 g/mol, XLogP of 7.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine is sourced from PubChem (CID 86624120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).