10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine

C24H33NO — CID 70881785

IUPAC10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine
SMILESCCCCN1c2ccc(C(C)C)cc2Oc2cc(C(C)(C)CC)ccc21
InChIInChI=1S/C24H33NO/c1-7-9-14-25-20-12-10-18(17(3)4)15-22(20)26-23-16-19(11-13-21(23)25)24(5,6)8-2/h10-13,15-17H,7-9,14H2,1-6H3
InChIKeyIMQZUVMUJCWMGT-UHFFFAOYSA-N
MW351.53 g/mol
LogP7.54
Rot. Bonds6

About 10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine

10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine (PubChem CID 70881785) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine.

Molecular Properties

Compound Name10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine
PubChem CID70881785
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine
SMILESCCCCN1c2ccc(C(C)C)cc2Oc2cc(C(C)(C)CC)ccc21
InChIInChI=1S/C24H33NO/c1-7-9-14-25-20-12-10-18(17(3)4)15-22(20)26-23-16-19(11-13-21(23)25)24(5,6)8-2/h10-13,15-17H,7-9,14H2,1-6H3
InChIKeyIMQZUVMUJCWMGT-UHFFFAOYSA-N
XLogP7.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine?
The IUPAC name of 10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine (CID 70881785) is 10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine.
What is the SMILES notation for 10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine?
The canonical SMILES for 10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine is CCCCN1c2ccc(C(C)C)cc2Oc2cc(C(C)(C)CC)ccc21.
What is the InChIKey of 10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine?
The InChIKey is IMQZUVMUJCWMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-7-9-14-25-20-12-10-18(17(3)4)15-22(20)26-23-16-19(11-13-21(23)25)24(5,6)8-2/h10-13,15-17H,7-9,14H2,1-6H3.
What are the key properties of 10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine?
10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine has a molecular weight of 351.53 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-3-(2-methylbutan-2-yl)-7-propan-2-ylphenoxazine is sourced from PubChem (CID 70881785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).