buta-1,3-diene;ethane;N-ethenylethanimine

C16H37N — CID 142052316

IUPACbuta-1,3-diene;ethane;N-ethenylethanimine
SMILESC=C/N=C/C.C=CC=C.CC.CC.CC.CC
InChIInChI=1S/C4H7N.C4H6.4C2H6/c1-3-5-4-2;1-3-4-2;4*1-2/h3-4H,1H2,2H3;3-4H,1-2H2;4*1-2H3/b5-4+;;;;;
InChIKeyYARWNMISDIEPTI-FNMVVZLKSA-N
MW243.48 g/mol
LogP6.68
Rot. Bonds2

About buta-1,3-diene;ethane;N-ethenylethanimine

buta-1,3-diene;ethane;N-ethenylethanimine (PubChem CID 142052316) has the molecular formula C16H37N and a molecular weight of 243.48 g/mol. Its IUPAC name is buta-1,3-diene;ethane;N-ethenylethanimine.

Molecular Properties

Compound Namebuta-1,3-diene;ethane;N-ethenylethanimine
PubChem CID142052316
Molecular FormulaC16H37N
Molecular Weight243.48 g/mol
Exact Mass243.29
IUPAC Namebuta-1,3-diene;ethane;N-ethenylethanimine
SMILESC=C/N=C/C.C=CC=C.CC.CC.CC.CC
InChIInChI=1S/C4H7N.C4H6.4C2H6/c1-3-5-4-2;1-3-4-2;4*1-2/h3-4H,1H2,2H3;3-4H,1-2H2;4*1-2H3/b5-4+;;;;;
InChIKeyYARWNMISDIEPTI-FNMVVZLKSA-N
XLogP6.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.48
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethenylethanimine;propane
CID 143338829
ethane;N-ethenylethanimine;propanal
CID 143779981
buta-1,3-diene;ethane;N-methylethanimine
CID 143431642
buta-1,3-diene;ethane;N-ethenylpropan-1-imine
CID 143326311
ethane;ethene;N-ethenylprop-2-en-1-imine
CID 145208086
buta-1,3-diene;ethane;methane;prop-1-ene
CID 142056054
(Z)-N-ethenyl-N'-ethylideneprop-2-ene-1,3-diimine
CID 126660383
(Z)-N-ethenyl-N'-ethylidene-2-methylprop-2-ene-1,3-diimine
CID 147153115
buta-1,3-diene;sulfanide
CID 19865721
ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine
CID 142114329
ethane;tetrakis(prop-1-ene)
CID 90918926
ethane;bis(prop-1-ene)
CID 91426438

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;ethane;N-ethenylethanimine?
The IUPAC name of buta-1,3-diene;ethane;N-ethenylethanimine (CID 142052316) is buta-1,3-diene;ethane;N-ethenylethanimine.
What is the SMILES notation for buta-1,3-diene;ethane;N-ethenylethanimine?
The canonical SMILES for buta-1,3-diene;ethane;N-ethenylethanimine is C=C/N=C/C.C=CC=C.CC.CC.CC.CC.
What is the InChIKey of buta-1,3-diene;ethane;N-ethenylethanimine?
The InChIKey is YARWNMISDIEPTI-FNMVVZLKSA-N. The full InChI is InChI=1S/C4H7N.C4H6.4C2H6/c1-3-5-4-2;1-3-4-2;4*1-2/h3-4H,1H2,2H3;3-4H,1-2H2;4*1-2H3/b5-4+;;;;;.
What are the key properties of buta-1,3-diene;ethane;N-ethenylethanimine?
buta-1,3-diene;ethane;N-ethenylethanimine has a molecular weight of 243.48 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;ethane;N-ethenylethanimine is sourced from PubChem (CID 142052316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).