methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine

C14H31NO — CID 142009450

IUPACmethoxyethane;prop-1-ene;1,4,4-trimethylpiperidine
SMILESC=CC.CCOC.CN1CCC(C)(C)CC1
InChIInChI=1S/C8H17N.C3H8O.C3H6/c1-8(2)4-6-9(3)7-5-8;1-3-4-2;1-3-2/h4-7H2,1-3H3;3H2,1-2H3;3H,1H2,2H3
InChIKeyOZTGDLKZNZUKOQ-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.58
Rot. Bonds1

About methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine

methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine (PubChem CID 142009450) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine.

Molecular Properties

Compound Namemethoxyethane;prop-1-ene;1,4,4-trimethylpiperidine
PubChem CID142009450
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Namemethoxyethane;prop-1-ene;1,4,4-trimethylpiperidine
SMILESC=CC.CCOC.CN1CCC(C)(C)CC1
InChIInChI=1S/C8H17N.C3H8O.C3H6/c1-8(2)4-6-9(3)7-5-8;1-3-4-2;1-3-2/h4-7H2,1-3H3;3H2,1-2H3;3H,1H2,2H3
InChIKeyOZTGDLKZNZUKOQ-UHFFFAOYSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-4-methyl-1-prop-2-enylpiperidine
CID 13802898
Lanthanum;4-(methoxymethyl)-4-prop-2-enylpiperidin-1-ide
CID 59312076
N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine;prop-1-ene
CID 142009572
Prop-1-ene;1,4,4-trimethylpiperidine
CID 142009655
1-(2-Methoxyethyl)-4,4-dimethylpiperidine;prop-1-ene
CID 142009708
butane;(E)-but-2-ene;2,2-dimethylpentane;1,4-dimethylpiperidine;1-methoxypropane;2-methylbutane;pentane
CID 159710815
4-Ethyl-4-methoxy-1-prop-2-enylpiperidine
CID 170013089
7-Prop-2-enyl-2-oxa-7-azaspiro[3.5]nonane
CID 172220933
7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[3.5]nonane
CID 144478992

Frequently Asked Questions

What is the IUPAC name of methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine?
The IUPAC name of methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine (CID 142009450) is methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine.
What is the SMILES notation for methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine?
The canonical SMILES for methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine is C=CC.CCOC.CN1CCC(C)(C)CC1.
What is the InChIKey of methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine?
The InChIKey is OZTGDLKZNZUKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C3H8O.C3H6/c1-8(2)4-6-9(3)7-5-8;1-3-4-2;1-3-2/h4-7H2,1-3H3;3H2,1-2H3;3H,1H2,2H3.
What are the key properties of methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine?
methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine has a molecular weight of 229.41 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;prop-1-ene;1,4,4-trimethylpiperidine is sourced from PubChem (CID 142009450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).