ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine

C10H21NO — CID 142313444

IUPACethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine
SMILESCC.CC/N=C(C)/C=C(\C)OC
InChIInChI=1S/C8H15NO.C2H6/c1-5-9-7(2)6-8(3)10-4;1-2/h6H,5H2,1-4H3;1-2H3/b8-6+,9-7+;
InChIKeyCSPLAHJRQWFKPW-SLGVWIAZSA-N
MW171.28 g/mol
LogP3.04
Rot. Bonds3

About ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine

ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine (PubChem CID 142313444) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine.

Molecular Properties

Compound Nameethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine
PubChem CID142313444
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine
SMILESCC.CC/N=C(C)/C=C(\C)OC
InChIInChI=1S/C8H15NO.C2H6/c1-5-9-7(2)6-8(3)10-4;1-2/h6H,5H2,1-4H3;1-2H3/b8-6+,9-7+;
InChIKeyCSPLAHJRQWFKPW-SLGVWIAZSA-N
XLogP3.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.04
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'}

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Related Compounds

N-ethyl-4-ethyliminopent-2-en-2-amine
CID 72526443
CID 164812836
CID 164812836
(E)-4-cyclohexyl-N-ethylpent-3-en-2-imine
CID 142125943
(E)-N-ethyl-5-methoxyhept-4-en-3-imine
CID 176925896
(Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 88941554
(Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 166498031
3-methoxy-N-methylbut-2-enimidoyl chloride
CID 123505027
2,4-dimethoxypenta-1,3-diene
CID 90861204
methyl (Z)-N-ethylbut-2-enimidate
CID 177000194
methyl N'-ethyl-N-ethylidenecarbamimidate
CID 174088080
acetonitrile;methoxymethane;(3E)-4-methoxy-2-methylpenta-1,3-diene;propane
CID 144653541
3-methoxybut-2-enoyl chloride
CID 54557484

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine?
The IUPAC name of ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine (CID 142313444) is ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine.
What is the SMILES notation for ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine?
The canonical SMILES for ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine is CC.CC/N=C(C)/C=C(\C)OC.
What is the InChIKey of ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine?
The InChIKey is CSPLAHJRQWFKPW-SLGVWIAZSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-5-9-7(2)6-8(3)10-4;1-2/h6H,5H2,1-4H3;1-2H3/b8-6+,9-7+;.
What are the key properties of ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine?
ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine has a molecular weight of 171.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine is sourced from PubChem (CID 142313444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).