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

C11H20N2O — CID 13326609

IUPAC(Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine
SMILESCC/C(N)=C/C1=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/b9-6-
InChIKeyQVHMMIUEKQRFTJ-TWGQIWQCSA-N
MW196.29 g/mol
LogP2.22
Rot. Bonds2

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

(Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine (PubChem CID 13326609) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine
PubChem CID13326609
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine
SMILESCC/C(N)=C/C1=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/b9-6-
InChIKeyQVHMMIUEKQRFTJ-TWGQIWQCSA-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

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Related Compounds

(E)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine
CID 20481039
1-(4,4,6-Trimethyl-5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-2-amine
CID 70526179
(2S)-5-[C-ethyl-N-[(Z)-4-methylpent-2-en-3-yl]carbonimidoyl]-2-propan-2-yl-3,6-dihydro-2H-pyran-4-amine
CID 170052870
2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 121224267

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine?
The IUPAC name of (Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine (CID 13326609) is (Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine.
What is the SMILES notation for (Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine?
The canonical SMILES for (Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine is CC/C(N)=C/C1=NC(C)(C)CC(C)O1.
What is the InChIKey of (Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine?
The InChIKey is QVHMMIUEKQRFTJ-TWGQIWQCSA-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/b9-6-.
What are the key properties of (Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine?
(Z)-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 (Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine is sourced from PubChem (CID 13326609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).