[(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium

C14H28NO2+ — CID 163781231

IUPAC[(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium
SMILESC=NC1(C)O[C@H](C(C)CC)C(CC)[C@@H](C)[C@H]1[OH2+]
InChIInChI=1S/C14H27NO2/c1-7-9(3)12-11(8-2)10(4)13(16)14(5,15-6)17-12/h9-13,16H,6-8H2,1-5H3/p+1/t9?,10-,11?,12-,13-,14?/m1/s1
InChIKeyMOTJNOKTIXVDPZ-KQVZITRHSA-O
MW242.38 g/mol
LogP2.60
Rot. Bonds4

About [(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium

[(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium (PubChem CID 163781231) has the molecular formula C14H28NO2+ and a molecular weight of 242.38 g/mol. Its IUPAC name is [(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium.

Molecular Properties

Compound Name[(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium
PubChem CID163781231
Molecular FormulaC14H28NO2+
Molecular Weight242.38 g/mol
Exact Mass242.21
IUPAC Name[(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium
SMILESC=NC1(C)O[C@H](C(C)CC)C(CC)[C@@H](C)[C@H]1[OH2+]
InChIInChI=1S/C14H27NO2/c1-7-9(3)12-11(8-2)10(4)13(16)14(5,15-6)17-12/h9-13,16H,6-8H2,1-5H3/p+1/t9?,10-,11?,12-,13-,14?/m1/s1
InChIKeyMOTJNOKTIXVDPZ-KQVZITRHSA-O
XLogP2.60
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium with MolForge

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Launch Full Analysis

Related Compounds

2-butan-2-yl-3-ethyl-4-methyloxolane
CID 59936247
1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane
CID 123211802
2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane
CID 123963440
(2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane
CID 130283506
2-butan-2-yl-4,5-dimethyloxolan-3-amine
CID 59025329
6-butan-2-yl-3,4,5-trimethyloxan-2-ol
CID 159707084
(2R,3S)-2-[(2S)-butan-2-yl]-3-ethenyloxirane
CID 10558633
2-[4-[(5-ethyl-2,4,6-trimethyl-1,3-dioxan-2-yl)oxy]-3-methylpentan-2-yl]oxy-2,4,5,6-tetramethyl-1,3-dioxane
CID 157141176
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
(2R,3R)-2-butan-2-yl-3-methyl-2,3-dihydrofuran
CID 134332135
[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol
CID 11094654

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium?
The IUPAC name of [(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium (CID 163781231) is [(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium.
What is the SMILES notation for [(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium?
The canonical SMILES for [(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium is C=NC1(C)O[C@H](C(C)CC)C(CC)[C@@H](C)[C@H]1[OH2+].
What is the InChIKey of [(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium?
The InChIKey is MOTJNOKTIXVDPZ-KQVZITRHSA-O. The full InChI is InChI=1S/C14H27NO2/c1-7-9(3)12-11(8-2)10(4)13(16)14(5,15-6)17-12/h9-13,16H,6-8H2,1-5H3/p+1/t9?,10-,11?,12-,13-,14?/m1/s1.
What are the key properties of [(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium?
[(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium has a molecular weight of 242.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,6R)-6-butan-2-yl-5-ethyl-2,4-dimethyl-2-(methylideneamino)oxan-3-yl]oxidanium is sourced from PubChem (CID 163781231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).