ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine

C13H26N2 — CID 145001459

IUPACethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CN(C)C1.CC.CC
InChIInChI=1S/C9H14N2.2C2H6/c1-4-8-6-11(3)7-9(8)5-10-2;2*1-2/h4-5H,1,6-7H2,2-3H3;2*1-2H3/b10-5+;;
InChIKeyAGAJYIMCTKAXPS-XKYXOGKGSA-N
MW210.36 g/mol
LogP3.17
Rot. Bonds2

About ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine

ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine (PubChem CID 145001459) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine.

Molecular Properties

Compound Nameethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
PubChem CID145001459
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CN(C)C1.CC.CC
InChIInChI=1S/C9H14N2.2C2H6/c1-4-8-6-11(3)7-9(8)5-10-2;2*1-2/h4-5H,1,6-7H2,2-3H3;2*1-2H3/b10-5+;;
InChIKeyAGAJYIMCTKAXPS-XKYXOGKGSA-N
XLogP3.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine?
The IUPAC name of ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine (CID 145001459) is ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine.
What is the SMILES notation for ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine?
The canonical SMILES for ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine is C=CC1=C(/C=N/C)CN(C)C1.CC.CC.
What is the InChIKey of ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine?
The InChIKey is AGAJYIMCTKAXPS-XKYXOGKGSA-N. The full InChI is InChI=1S/C9H14N2.2C2H6/c1-4-8-6-11(3)7-9(8)5-10-2;2*1-2/h4-5H,1,6-7H2,2-3H3;2*1-2H3/b10-5+;;.
What are the key properties of ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine?
ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine has a molecular weight of 210.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine is sourced from PubChem (CID 145001459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).