(E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine

C15H27NO — CID 174115188

IUPAC(E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine
SMILESC/C=C(C)/N=C/C=C(\CCC)CCOCCC
InChIInChI=1S/C15H27NO/c1-5-8-15(10-13-17-12-6-2)9-11-16-14(4)7-3/h7,9,11H,5-6,8,10,12-13H2,1-4H3/b14-7+,15-9+,16-11+
InChIKeyIIRAHLWRHHZQOS-XYKFSNFHSA-N
MW237.39 g/mol
LogP4.52
Rot. Bonds9

About (E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine

(E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine (PubChem CID 174115188) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine
PubChem CID174115188
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine
SMILESC/C=C(C)/N=C/C=C(\CCC)CCOCCC
InChIInChI=1S/C15H27NO/c1-5-8-15(10-13-17-12-6-2)9-11-16-14(4)7-3/h7,9,11H,5-6,8,10,12-13H2,1-4H3/b14-7+,15-9+,16-11+
InChIKeyIIRAHLWRHHZQOS-XYKFSNFHSA-N
XLogP4.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-propoxypent-2-ene
CID 123743714
2-methyl-1-methylsulfanyl-4-propoxybut-1-ene
CID 123225260
6-propoxyhex-2-ene
CID 90940271
(E)-7-propoxyhept-2-ene
CID 173027066
6-[2-(2-propoxyethoxy)ethoxy]hexan-2-one
CID 58427327
(E)-9-propoxynon-2-ene
CID 22172137
8-propoxyoct-2-ene
CID 91802339
3-propoxypropanethioamide
CID 43248084
ethane;propane;1-propoxypropane
CID 143757970
ethane;(2Z,4E)-5-(2-methoxyethyl)octa-2,4-diene;2-methylbutane
CID 143380177
5-propyloct-4-enoxysilane
CID 154118310
4-ethyl-4-methyl-3-methylidene-1-propoxyhexane
CID 123390908

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine?
The IUPAC name of (E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine (CID 174115188) is (E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine.
What is the SMILES notation for (E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine?
The canonical SMILES for (E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine is C/C=C(C)/N=C/C=C(\CCC)CCOCCC.
What is the InChIKey of (E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine?
The InChIKey is IIRAHLWRHHZQOS-XYKFSNFHSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-8-15(10-13-17-12-6-2)9-11-16-14(4)7-3/h7,9,11H,5-6,8,10,12-13H2,1-4H3/b14-7+,15-9+,16-11+.
What are the key properties of (E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine?
(E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine has a molecular weight of 237.39 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-but-2-en-2-yl]-3-(2-propoxyethyl)hex-2-en-1-imine is sourced from PubChem (CID 174115188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).