ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine

C14H25NO2 — CID 142220898

IUPACethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine
SMILESC=CC1=C(/C=C\C)OC(CC)(CNC)O1.CC
InChIInChI=1S/C12H19NO2.C2H6/c1-5-8-11-10(6-2)14-12(7-3,15-11)9-13-4;1-2/h5-6,8,13H,2,7,9H2,1,3-4H3;1-2H3/b8-5-;
InChIKeyOVZYVWCFKPBRNL-HGKIGUAWSA-N
MW239.36 g/mol
LogP3.36
Rot. Bonds5

About ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine

ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine (PubChem CID 142220898) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine
PubChem CID142220898
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine
SMILESC=CC1=C(/C=C\C)OC(CC)(CNC)O1.CC
InChIInChI=1S/C12H19NO2.C2H6/c1-5-8-11-10(6-2)14-12(7-3,15-11)9-13-4;1-2/h5-6,8,13H,2,7,9H2,1,3-4H3;1-2H3/b8-5-;
InChIKeyOVZYVWCFKPBRNL-HGKIGUAWSA-N
XLogP3.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine with MolForge

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Related Compounds

1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine
CID 142260505
but-1-ene;ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-6,7-dihydro-5H-1,4-dioxepine;propane
CID 177189450
5,6-bis(ethenyl)-2,2,3,3-tetrafluoro-1,4-dioxine
CID 145021961
6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one
CID 134485479
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050
ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole
CID 143141932
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 142875398
4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole
CID 162613975
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole
CID 142074058
(Z)-but-2-ene;N-methylethanamine
CID 171622053
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine?
The IUPAC name of ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine (CID 142220898) is ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine.
What is the SMILES notation for ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine?
The canonical SMILES for ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine is C=CC1=C(/C=C\C)OC(CC)(CNC)O1.CC.
What is the InChIKey of ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine?
The InChIKey is OVZYVWCFKPBRNL-HGKIGUAWSA-N. The full InChI is InChI=1S/C12H19NO2.C2H6/c1-5-8-11-10(6-2)14-12(7-3,15-11)9-13-4;1-2/h5-6,8,13H,2,7,9H2,1,3-4H3;1-2H3/b8-5-;.
What are the key properties of ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine?
ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-ethenyl-2-ethyl-5-[(Z)-prop-1-enyl]-1,3-dioxol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 142220898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).