ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine

C16H39NO — CID 143697946

IUPACethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine
SMILESC=C/C=N\OC(=C)C.CC.CC.CC.CC.CC
InChIInChI=1S/C6H9NO.5C2H6/c1-4-5-7-8-6(2)3;5*1-2/h4-5H,1-2H2,3H3;5*1-2H3/b7-5-;;;;;
InChIKeyLHFBLIVVQXKMOS-PHEAZCCDSA-N
MW261.49 g/mol
LogP6.84
Rot. Bonds3

About ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine

ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine (PubChem CID 143697946) has the molecular formula C16H39NO and a molecular weight of 261.49 g/mol. Its IUPAC name is ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine
PubChem CID143697946
Molecular FormulaC16H39NO
Molecular Weight261.49 g/mol
Exact Mass261.30
IUPAC Nameethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine
SMILESC=C/C=N\OC(=C)C.CC.CC.CC.CC.CC
InChIInChI=1S/C6H9NO.5C2H6/c1-4-5-7-8-6(2)3;5*1-2/h4-5H,1-2H2,3H3;5*1-2H3/b7-5-;;;;;
InChIKeyLHFBLIVVQXKMOS-PHEAZCCDSA-N
XLogP6.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.49
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroperoxyprop-2-en-1-imine
CID 173056422
ethane;ethene;N-ethenylprop-2-en-1-imine
CID 145208086
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
butane;N-prop-1-en-2-ylprop-2-en-1-imine
CID 144787234
(E)-N-propoxyprop-2-en-1-imine
CID 10057470
N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine
CID 170195757
ethane;N'-ethenyl-N-prop-2-enylideneethanimidamide
CID 144981959
ethane;N'-methyl-N-prop-2-enylidenemethanimidamide
CID 143794244
buta-1,3-diene;ethane;N-methylmethanamine;2-methylprop-1-ene
CID 145396267
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide
CID 143834995
ethane;tris(2-methylprop-1-ene)
CID 144520420

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine?
The IUPAC name of ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine (CID 143697946) is ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine?
The canonical SMILES for ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine is C=C/C=N\OC(=C)C.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine?
The InChIKey is LHFBLIVVQXKMOS-PHEAZCCDSA-N. The full InChI is InChI=1S/C6H9NO.5C2H6/c1-4-5-7-8-6(2)3;5*1-2/h4-5H,1-2H2,3H3;5*1-2H3/b7-5-;;;;;.
What are the key properties of ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine?
ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine has a molecular weight of 261.49 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine is sourced from PubChem (CID 143697946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).