2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane

C15H29NO — CID 86068112

IUPAC2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane
SMILESCCCCC1(C2CC2)OC(C)CC(C)(C)N1C
InChIInChI=1S/C15H29NO/c1-6-7-10-15(13-8-9-13)16(5)14(3,4)11-12(2)17-15/h12-13H,6-11H2,1-5H3
InChIKeyMSNKQKYSVOWERT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.80
Rot. Bonds4

About 2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane

2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane (PubChem CID 86068112) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane.

Molecular Properties

Compound Name2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane
PubChem CID86068112
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane
SMILESCCCCC1(C2CC2)OC(C)CC(C)(C)N1C
InChIInChI=1S/C15H29NO/c1-6-7-10-15(13-8-9-13)16(5)14(3,4)11-12(2)17-15/h12-13H,6-11H2,1-5H3
InChIKeyMSNKQKYSVOWERT-UHFFFAOYSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane?
The IUPAC name of 2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane (CID 86068112) is 2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane.
What is the SMILES notation for 2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane?
The canonical SMILES for 2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane is CCCCC1(C2CC2)OC(C)CC(C)(C)N1C.
What is the InChIKey of 2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane?
The InChIKey is MSNKQKYSVOWERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-7-10-15(13-8-9-13)16(5)14(3,4)11-12(2)17-15/h12-13H,6-11H2,1-5H3.
What are the key properties of 2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane?
2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane has a molecular weight of 239.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-cyclopropyl-3,4,4,6-tetramethyl-1,3-oxazinane is sourced from PubChem (CID 86068112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).