ethane;N-ethenylethanimine;propane

C17H45N — CID 143338829

IUPACethane;N-ethenylethanimine;propane
SMILESC=C/N=C/C.CC.CC.CC.CC.CC.CCC
InChIInChI=1S/C4H7N.C3H8.5C2H6/c1-3-5-4-2;1-3-2;5*1-2/h3-4H,1H2,2H3;3H2,1-2H3;5*1-2H3/b5-4+;;;;;;
InChIKeyMEULMUXDKVEJNX-XDVHOFEZSA-N
MW263.55 g/mol
LogP7.77
Rot. Bonds1

About ethane;N-ethenylethanimine;propane

ethane;N-ethenylethanimine;propane (PubChem CID 143338829) has the molecular formula C17H45N and a molecular weight of 263.55 g/mol. Its IUPAC name is ethane;N-ethenylethanimine;propane.

Molecular Properties

Compound Nameethane;N-ethenylethanimine;propane
PubChem CID143338829
Molecular FormulaC17H45N
Molecular Weight263.55 g/mol
Exact Mass263.36
IUPAC Nameethane;N-ethenylethanimine;propane
SMILESC=C/N=C/C.CC.CC.CC.CC.CC.CCC
InChIInChI=1S/C4H7N.C3H8.5C2H6/c1-3-5-4-2;1-3-2;5*1-2/h3-4H,1H2,2H3;3H2,1-2H3;5*1-2H3/b5-4+;;;;;;
InChIKeyMEULMUXDKVEJNX-XDVHOFEZSA-N
XLogP7.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.55
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-diene;ethane;N-ethenylethanimine
CID 142052316
ethane;N-ethenylethanimine;propanal
CID 143779981
butane;ethane;propane;prop-1-ene
CID 143366707
buta-1,3-diene;ethane;N-ethenylpropan-1-imine
CID 143326311
(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
ethane;ethene;N-ethenylprop-2-en-1-imine
CID 145208086
ethane;penta-1,3-diene;propane
CID 143367111
butane;ethane;ethene;prop-1-ene
CID 144524801
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
but-1-ene;ethane;ethene;propane
CID 144521241
N-[(1Z)-3-ethyl-3-methylpenta-1,4-dienyl]ethanimine
CID 153397886

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenylethanimine;propane?
The IUPAC name of ethane;N-ethenylethanimine;propane (CID 143338829) is ethane;N-ethenylethanimine;propane.
What is the SMILES notation for ethane;N-ethenylethanimine;propane?
The canonical SMILES for ethane;N-ethenylethanimine;propane is C=C/N=C/C.CC.CC.CC.CC.CC.CCC.
What is the InChIKey of ethane;N-ethenylethanimine;propane?
The InChIKey is MEULMUXDKVEJNX-XDVHOFEZSA-N. The full InChI is InChI=1S/C4H7N.C3H8.5C2H6/c1-3-5-4-2;1-3-2;5*1-2/h3-4H,1H2,2H3;3H2,1-2H3;5*1-2H3/b5-4+;;;;;;.
What are the key properties of ethane;N-ethenylethanimine;propane?
ethane;N-ethenylethanimine;propane has a molecular weight of 263.55 g/mol, XLogP of 7.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenylethanimine;propane is sourced from PubChem (CID 143338829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).