2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine

C15H25NO — CID 137428940

IUPAC2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine
SMILESC=C1COC(C)(CCN(C)CC)/C1=C/C=C\C
InChIInChI=1S/C15H25NO/c1-6-8-9-14-13(3)12-17-15(14,4)10-11-16(5)7-2/h6,8-9H,3,7,10-12H2,1-2,4-5H3/b8-6-,14-9+
InChIKeyMABCQLYHFTUEHB-CURXYISGSA-N
MW235.37 g/mol
LogP3.18
Rot. Bonds5

About 2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine

2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine (PubChem CID 137428940) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine
PubChem CID137428940
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine
SMILESC=C1COC(C)(CCN(C)CC)/C1=C/C=C\C
InChIInChI=1S/C15H25NO/c1-6-8-9-14-13(3)12-17-15(14,4)10-11-16(5)7-2/h6,8-9H,3,7,10-12H2,1-2,4-5H3/b8-6-,14-9+
InChIKeyMABCQLYHFTUEHB-CURXYISGSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine with MolForge

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Related Compounds

(6Z)-4-ethoxy-8-fluoro-N,N,4-trimethyl-5-methylidenenona-6,8-dien-1-amine
CID 142084753
N-ethyl-2-(5-fluoro-3-methyl-1,4,5,6-tetrahydrocyclohepta[c]furan-3-yl)-N-methylethanamine
CID 143112779
(3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 19939730
3-Ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 54297161
1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine]
CID 91338235
8-Methyl-3-methylidene-4-pentylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428847
N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine
CID 137428862
N-methyl-N-[2-(2-methyl-3,4-dimethylideneoxolan-2-yl)ethyl]propan-1-amine
CID 137428975
(4E)-4-butylidene-8-methyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 137428979
(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-1-oxa-8-azaspiro[4.5]decane;ethane
CID 143423152
Ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine]
CID 143979461
ethane;(2E)-8-methyl-3-methylidene-2-prop-2-enylidene-1-oxa-8-azaspiro[4.5]decane
CID 143985757

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine?
The IUPAC name of 2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine (CID 137428940) is 2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine is C=C1COC(C)(CCN(C)CC)/C1=C/C=C\C.
What is the InChIKey of 2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine?
The InChIKey is MABCQLYHFTUEHB-CURXYISGSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-8-9-14-13(3)12-17-15(14,4)10-11-16(5)7-2/h6,8-9H,3,7,10-12H2,1-2,4-5H3/b8-6-,14-9+.
What are the key properties of 2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine?
2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-3-[(Z)-but-2-enylidene]-2-methyl-4-methylideneoxolan-2-yl]-N-ethyl-N-methylethanamine is sourced from PubChem (CID 137428940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).