2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine

C18H27NO — CID 605280

IUPAC2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine
SMILESCCC1(CC)OC(C2CCCCC2)Nc2ccccc21
InChIInChI=1S/C18H27NO/c1-3-18(4-2)15-12-8-9-13-16(15)19-17(20-18)14-10-6-5-7-11-14/h8-9,12-14,17,19H,3-7,10-11H2,1-2H3
InChIKeyBPHZJOCKIJAVOM-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.05
Rot. Bonds3

About 2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine

2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine (PubChem CID 605280) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine
PubChem CID605280
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine
SMILESCCC1(CC)OC(C2CCCCC2)Nc2ccccc21
InChIInChI=1S/C18H27NO/c1-3-18(4-2)15-12-8-9-13-16(15)19-17(20-18)14-10-6-5-7-11-14/h8-9,12-14,17,19H,3-7,10-11H2,1-2H3
InChIKeyBPHZJOCKIJAVOM-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine?
The IUPAC name of 2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine (CID 605280) is 2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine.
What is the SMILES notation for 2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine?
The canonical SMILES for 2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine is CCC1(CC)OC(C2CCCCC2)Nc2ccccc21.
What is the InChIKey of 2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine?
The InChIKey is BPHZJOCKIJAVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-18(4-2)15-12-8-9-13-16(15)19-17(20-18)14-10-6-5-7-11-14/h8-9,12-14,17,19H,3-7,10-11H2,1-2H3.
What are the key properties of 2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine?
2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine has a molecular weight of 273.42 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,4-diethyl-1,2-dihydro-3,1-benzoxazine is sourced from PubChem (CID 605280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).