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

C8H14N2O — CID 170592620

IUPAC(Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine
SMILESCC/C(=C/N)C1=NCCCO1
InChIInChI=1S/C8H14N2O/c1-2-7(6-9)8-10-4-3-5-11-8/h6H,2-5,9H2,1H3/b7-6-
InChIKeyKLLBYKXKFKWODM-SREVYHEPSA-N
MW154.21 g/mol
LogP1.06
Rot. Bonds2

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

(Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine (PubChem CID 170592620) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine
PubChem CID170592620
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine
SMILESCC/C(=C/N)C1=NCCCO1
InChIInChI=1S/C8H14N2O/c1-2-7(6-9)8-10-4-3-5-11-8/h6H,2-5,9H2,1H3/b7-6-
InChIKeyKLLBYKXKFKWODM-SREVYHEPSA-N
XLogP1.06
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine?
The IUPAC name of (Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine (CID 170592620) is (Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine.
What is the SMILES notation for (Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine?
The canonical SMILES for (Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine is CC/C(=C/N)C1=NCCCO1.
What is the InChIKey of (Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine?
The InChIKey is KLLBYKXKFKWODM-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-7(6-9)8-10-4-3-5-11-8/h6H,2-5,9H2,1H3/b7-6-.
What are the key properties of (Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine?
(Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine has a molecular weight of 154.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine is sourced from PubChem (CID 170592620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).