7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine

C14H22N2O — CID 129157098

IUPAC7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESCCC(C)c1cc2c(cn1)OCCN2C(C)C
InChIInChI=1S/C14H22N2O/c1-5-11(4)12-8-13-14(9-15-12)17-7-6-16(13)10(2)3/h8-11H,5-7H2,1-4H3
InChIKeyZCJUWSDGIJCXAT-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.20
Rot. Bonds3

About 7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine

7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine (PubChem CID 129157098) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine
PubChem CID129157098
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESCCC(C)c1cc2c(cn1)OCCN2C(C)C
InChIInChI=1S/C14H22N2O/c1-5-11(4)12-8-13-14(9-15-12)17-7-6-16(13)10(2)3/h8-11H,5-7H2,1-4H3
InChIKeyZCJUWSDGIJCXAT-UHFFFAOYSA-N
XLogP3.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The IUPAC name of 7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine (CID 129157098) is 7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for 7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The canonical SMILES for 7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine is CCC(C)c1cc2c(cn1)OCCN2C(C)C.
What is the InChIKey of 7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The InChIKey is ZCJUWSDGIJCXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-11(4)12-8-13-14(9-15-12)17-7-6-16(13)10(2)3/h8-11H,5-7H2,1-4H3.
What are the key properties of 7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine?
7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine has a molecular weight of 234.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 129157098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).