1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine

C11H20N2O — CID 70526179

IUPAC1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine
SMILESCCC(N)=CC1=NC(C)(C)CC(C)O1
InChIInChI=1S/C11H20N2O/c1-5-9(12)6-10-13-11(3,4)7-8(2)14-10/h6,8H,5,7,12H2,1-4H3
InChIKeyQVHMMIUEKQRFTJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.22
Rot. Bonds2

About 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine

1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine (PubChem CID 70526179) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine.

Molecular Properties

Compound Name1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine
PubChem CID70526179
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine
SMILESCCC(N)=CC1=NC(C)(C)CC(C)O1
InChIInChI=1S/C11H20N2O/c1-5-9(12)6-10-13-11(3,4)7-8(2)14-10/h6,8H,5,7,12H2,1-4H3
InChIKeyQVHMMIUEKQRFTJ-UHFFFAOYSA-N
XLogP2.22
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine?
The IUPAC name of 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine (CID 70526179) is 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine.
What is the SMILES notation for 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine?
The canonical SMILES for 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine is CCC(N)=CC1=NC(C)(C)CC(C)O1.
What is the InChIKey of 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine?
The InChIKey is QVHMMIUEKQRFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-9(12)6-10-13-11(3,4)7-8(2)14-10/h6,8H,5,7,12H2,1-4H3.
What are the key properties of 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine?
1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine has a molecular weight of 196.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine is sourced from PubChem (CID 70526179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).