4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane

C19H25NO — CID 15340758

IUPAC4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane
SMILESCC1CC(C)(C)NC(C(C)c2cccc3ccccc23)O1
InChIInChI=1S/C19H25NO/c1-13-12-19(3,4)20-18(21-13)14(2)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,13-14,18,20H,12H2,1-4H3
InChIKeyPEFQZDSFVKNMSH-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.45
Rot. Bonds2

About 4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane

4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane (PubChem CID 15340758) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane.

Molecular Properties

Compound Name4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane
PubChem CID15340758
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane
SMILESCC1CC(C)(C)NC(C(C)c2cccc3ccccc23)O1
InChIInChI=1S/C19H25NO/c1-13-12-19(3,4)20-18(21-13)14(2)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,13-14,18,20H,12H2,1-4H3
InChIKeyPEFQZDSFVKNMSH-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane?
The IUPAC name of 4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane (CID 15340758) is 4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane.
What is the SMILES notation for 4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane?
The canonical SMILES for 4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane is CC1CC(C)(C)NC(C(C)c2cccc3ccccc23)O1.
What is the InChIKey of 4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane?
The InChIKey is PEFQZDSFVKNMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13-12-19(3,4)20-18(21-13)14(2)16-11-7-9-15-8-5-6-10-17(15)16/h5-11,13-14,18,20H,12H2,1-4H3.
What are the key properties of 4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane?
4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane has a molecular weight of 283.41 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-(1-naphthalen-1-ylethyl)-1,3-oxazinane is sourced from PubChem (CID 15340758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).