[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium

C12H24NO+ — CID 7077086

IUPAC[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
SMILESC=C1C[C@@H](C[NH2+]CC(C)C)O[C@@H](C)C1
InChIInChI=1S/C12H23NO/c1-9(2)7-13-8-12-6-10(3)5-11(4)14-12/h9,11-13H,3,5-8H2,1-2,4H3/p+1/t11-,12-/m0/s1
InChIKeyBJPVBGBVOJLXAK-RYUDHWBXSA-O
MW198.33 g/mol
LogP1.33
Rot. Bonds4

About [(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium

[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium (PubChem CID 7077086) has the molecular formula C12H24NO+ and a molecular weight of 198.33 g/mol. Its IUPAC name is [(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium.

Molecular Properties

Compound Name[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
PubChem CID7077086
Molecular FormulaC12H24NO+
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Name[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
SMILESC=C1C[C@@H](C[NH2+]CC(C)C)O[C@@H](C)C1
InChIInChI=1S/C12H23NO/c1-9(2)7-13-8-12-6-10(3)5-11(4)14-12/h9,11-13H,3,5-8H2,1-2,4H3/p+1/t11-,12-/m0/s1
InChIKeyBJPVBGBVOJLXAK-RYUDHWBXSA-O
XLogP1.33
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-2-ylmethyl)but-3-en-1-amine
CID 64313742
2-Hept-1-en-3-ylmorpholine
CID 68588233
2-Hex-1-en-2-ylmorpholine
CID 68588537
2-Hex-1-en-3-ylmorpholine
CID 68590103
2-Pent-1-en-2-ylmorpholine
CID 68590326
3-Ethoxy-5-methylidenepiperidine
CID 91444845
2-(2-Methylprop-2-enyl)morpholine
CID 91553690
2-(2-Methylidenepent-4-enyl)morpholine
CID 118117904
[(2R)-4-methylideneoxan-2-yl]methylcyanamide
CID 155718893
2-methyl-N-[[(2R,6R)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 929047
[(2S,6R)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 1795242
2-methyl-N-[[(2S,6R)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 1795243

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium?
The IUPAC name of [(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium (CID 7077086) is [(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium.
What is the SMILES notation for [(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium?
The canonical SMILES for [(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium is C=C1C[C@@H](C[NH2+]CC(C)C)O[C@@H](C)C1.
What is the InChIKey of [(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium?
The InChIKey is BJPVBGBVOJLXAK-RYUDHWBXSA-O. The full InChI is InChI=1S/C12H23NO/c1-9(2)7-13-8-12-6-10(3)5-11(4)14-12/h9,11-13H,3,5-8H2,1-2,4H3/p+1/t11-,12-/m0/s1.
What are the key properties of [(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium?
[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium has a molecular weight of 198.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium is sourced from PubChem (CID 7077086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).