ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine

C14H31N — CID 144512027

IUPACethane;(Z)-pent-2-ene;N-prop-2-enylethanimine
SMILESC/C=C\CC.C=CC/N=C/C.CC.CC
InChIInChI=1S/C5H9N.C5H10.2C2H6/c1-3-5-6-4-2;1-3-5-4-2;2*1-2/h3-4H,1,5H2,2H3;3,5H,4H2,1-2H3;2*1-2H3/b6-4+;5-3-;;
InChIKeyLWUVISKMNLLRIT-MSOYVCLASA-N
MW213.41 g/mol
LogP5.29
Rot. Bonds3

About ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine

ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine (PubChem CID 144512027) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine.

Molecular Properties

Compound Nameethane;(Z)-pent-2-ene;N-prop-2-enylethanimine
PubChem CID144512027
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Nameethane;(Z)-pent-2-ene;N-prop-2-enylethanimine
SMILESC/C=C\CC.C=CC/N=C/C.CC.CC
InChIInChI=1S/C5H9N.C5H10.2C2H6/c1-3-5-6-4-2;1-3-5-4-2;2*1-2/h3-4H,1,5H2,2H3;3,5H,4H2,1-2H3;2*1-2H3/b6-4+;5-3-;;
InChIKeyLWUVISKMNLLRIT-MSOYVCLASA-N
XLogP5.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500213.41
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine 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

but-1-ene;(Z)-pent-2-ene
CID 156866422
ethane;ethene;(E)-pent-2-ene
CID 154666573
bis(pent-1-ene);pent-2-ene
CID 158608078
(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
germane;pent-2-ene
CID 174678272
CID 162303422
CID 162303422
ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene
CID 142609850
methane;penta-1,3-diene;pent-2-ene
CID 158883793
nitrous acid;pent-2-ene
CID 87504144
but-1-ene;but-2-ene;prop-1-ene
CID 160918287
ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane
CID 143337610
hexane;(Z)-pent-2-ene;tetrahydrate
CID 176555754

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine?
The IUPAC name of ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine (CID 144512027) is ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine.
What is the SMILES notation for ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine?
The canonical SMILES for ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine is C/C=C\CC.C=CC/N=C/C.CC.CC.
What is the InChIKey of ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine?
The InChIKey is LWUVISKMNLLRIT-MSOYVCLASA-N. The full InChI is InChI=1S/C5H9N.C5H10.2C2H6/c1-3-5-6-4-2;1-3-5-4-2;2*1-2/h3-4H,1,5H2,2H3;3,5H,4H2,1-2H3;2*1-2H3/b6-4+;5-3-;;.
What are the key properties of ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine?
ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine has a molecular weight of 213.41 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-pent-2-ene;N-prop-2-enylethanimine is sourced from PubChem (CID 144512027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).