2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine

C15H27NO — CID 142283425

IUPAC2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine
SMILESC/C=C1/CCC(CC)(CCNC)O/C1=C/CC
InChIInChI=1S/C15H27NO/c1-5-8-14-13(6-2)9-10-15(7-3,17-14)11-12-16-4/h6,8,16H,5,7,9-12H2,1-4H3/b13-6-,14-8+
InChIKeyLESBITUSKJSLIP-BJGDRQFASA-N
MW237.39 g/mol
LogP3.80
Rot. Bonds5

About 2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine

2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine (PubChem CID 142283425) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine
PubChem CID142283425
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine
SMILESC/C=C1/CCC(CC)(CCNC)O/C1=C/CC
InChIInChI=1S/C15H27NO/c1-5-8-14-13(6-2)9-10-15(7-3,17-14)11-12-16-4/h6,8,16H,5,7,9-12H2,1-4H3/b13-6-,14-8+
InChIKeyLESBITUSKJSLIP-BJGDRQFASA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(2E)-2-ethylidene-3-methylidene-1-oxa-9-azaspiro[5.5]undecane;methanamine
CID 141812194
2-(5-cyclohexa-1,5-dien-1-yloxy-2-bicyclo[4.1.0]hepta-2,4-dienyl)-N-methylethanamine
CID 142152877
Spiro[3,4,6,7-tetrahydrochromene-2,4'-piperidine]
CID 142283443
(3R)-3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine;molecular hydrogen
CID 143300286
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine;molecular hydrogen
CID 143507278
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine
CID 143507279
(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 144053584
ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-2-ene
CID 144103741
ethane;(6E,7Z)-6-ethylidene-N-methyl-7-prop-2-enylidene-5-oxaspiro[3.5]nonan-8-amine
CID 145474100
(6E,7Z)-6,7-di(ethylidene)-5-oxaspiro[3.5]nonan-8-amine;ethane
CID 145474104
2-[2-[(2R)-1-(4-methoxycyclobuta-1,3-dien-1-yl)propan-2-yl]cyclohexen-1-yl]-N-methylethanamine
CID 163898762
6-Methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine]
CID 167058111

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine?
The IUPAC name of 2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine (CID 142283425) is 2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine is C/C=C1/CCC(CC)(CCNC)O/C1=C/CC.
What is the InChIKey of 2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine?
The InChIKey is LESBITUSKJSLIP-BJGDRQFASA-N. The full InChI is InChI=1S/C15H27NO/c1-5-8-14-13(6-2)9-10-15(7-3,17-14)11-12-16-4/h6,8,16H,5,7,9-12H2,1-4H3/b13-6-,14-8+.
What are the key properties of 2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine?
2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z,6E)-2-ethyl-5-ethylidene-6-propylideneoxan-2-yl]-N-methylethanamine is sourced from PubChem (CID 142283425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).