ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine

C11H23NO — CID 176568280

IUPACethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine
SMILESC=C1CCC(COC)N(C)C1.CC
InChIInChI=1S/C9H17NO.C2H6/c1-8-4-5-9(7-11-3)10(2)6-8;1-2/h9H,1,4-7H2,2-3H3;1-2H3
InChIKeyNCGVAHUUZHPSEZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.31
Rot. Bonds2

About ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine

ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine (PubChem CID 176568280) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine.

Molecular Properties

Compound Nameethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine
PubChem CID176568280
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine
SMILESC=C1CCC(COC)N(C)C1.CC
InChIInChI=1S/C9H17NO.C2H6/c1-8-4-5-9(7-11-3)10(2)6-8;1-2/h9H,1,4-7H2,2-3H3;1-2H3
InChIKeyNCGVAHUUZHPSEZ-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.31
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-(2-Methyl-6-methyleneocta-1,7-dien-3-yl)morpholine
CID 137797150
Potassium;carbanide;2,2-difluorobutane;(1-methyl-5-methylidenepiperidin-2-yl)methanolate
CID 176926790
4-(4-Methylidenecyclohexyl)morpholine
CID 58902749
2-Ethenyl-1-(2-methoxyethyl)piperidine
CID 59324822
2,4-Dimethyl-6-(3-methylbut-3-enyl)morpholine
CID 59355917
1,1-Dimethyl-2-(oxiren-2-yl)piperidin-1-ium
CID 89333104
(2S)-2-(1-methoxyethenyl)-1-methylpiperidine
CID 89849837
4-(2-Methylidenecyclohexyl)morpholine
CID 90684875
4-(3-Methylidenecyclohexyl)morpholine
CID 90708110
1-(2-Methoxy-5-methylidenecyclohexyl)-4-methylpiperazine
CID 90845680
2-(Methoxymethyl)-1-(3-methylbut-1-en-2-yl)piperidine
CID 132018446
Ethane;4-(2-methylidenecyclohexyl)morpholine
CID 142246003

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine?
The IUPAC name of ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine (CID 176568280) is ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine.
What is the SMILES notation for ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine?
The canonical SMILES for ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine is C=C1CCC(COC)N(C)C1.CC.
What is the InChIKey of ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine?
The InChIKey is NCGVAHUUZHPSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-8-4-5-9(7-11-3)10(2)6-8;1-2/h9H,1,4-7H2,2-3H3;1-2H3.
What are the key properties of ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine?
ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine has a molecular weight of 185.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methoxymethyl)-1-methyl-5-methylidenepiperidine is sourced from PubChem (CID 176568280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).