(2E)-2-(1,3-oxazinan-2-ylidene)ethanamine

C6H12N2O — CID 153396069

IUPAC(2E)-2-(1,3-oxazinan-2-ylidene)ethanamine
SMILESNC/C=C1\NCCCO1
InChIInChI=1S/C6H12N2O/c7-3-2-6-8-4-1-5-9-6/h2,8H,1,3-5,7H2/b6-2+
InChIKeyNTNNNBXHTVRULR-QHHAFSJGSA-N
MW128.17 g/mol
LogP-0.20
Rot. Bonds1

About (2E)-2-(1,3-oxazinan-2-ylidene)ethanamine

(2E)-2-(1,3-oxazinan-2-ylidene)ethanamine (PubChem CID 153396069) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (2E)-2-(1,3-oxazinan-2-ylidene)ethanamine.

Molecular Properties

Compound Name(2E)-2-(1,3-oxazinan-2-ylidene)ethanamine
PubChem CID153396069
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(2E)-2-(1,3-oxazinan-2-ylidene)ethanamine
SMILESNC/C=C1\NCCCO1
InChIInChI=1S/C6H12N2O/c7-3-2-6-8-4-1-5-9-6/h2,8H,1,3-5,7H2/b6-2+
InChIKeyNTNNNBXHTVRULR-QHHAFSJGSA-N
XLogP-0.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1,3-oxazinan-2-ylidene)ethanamine?
The IUPAC name of (2E)-2-(1,3-oxazinan-2-ylidene)ethanamine (CID 153396069) is (2E)-2-(1,3-oxazinan-2-ylidene)ethanamine.
What is the SMILES notation for (2E)-2-(1,3-oxazinan-2-ylidene)ethanamine?
The canonical SMILES for (2E)-2-(1,3-oxazinan-2-ylidene)ethanamine is NC/C=C1\NCCCO1.
What is the InChIKey of (2E)-2-(1,3-oxazinan-2-ylidene)ethanamine?
The InChIKey is NTNNNBXHTVRULR-QHHAFSJGSA-N. The full InChI is InChI=1S/C6H12N2O/c7-3-2-6-8-4-1-5-9-6/h2,8H,1,3-5,7H2/b6-2+.
What are the key properties of (2E)-2-(1,3-oxazinan-2-ylidene)ethanamine?
(2E)-2-(1,3-oxazinan-2-ylidene)ethanamine has a molecular weight of 128.17 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1,3-oxazinan-2-ylidene)ethanamine is sourced from PubChem (CID 153396069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).