(E)-N-(2-piperidin-1-ylethoxy)butan-2-imine

C11H22N2O — CID 88539023

IUPAC(E)-N-(2-piperidin-1-ylethoxy)butan-2-imine
SMILESCC/C(C)=N/OCCN1CCCCC1
InChIInChI=1S/C11H22N2O/c1-3-11(2)12-14-10-9-13-7-5-4-6-8-13/h3-10H2,1-2H3/b12-11+
InChIKeyFXEDLTWLZDHEHO-VAWYXSNFSA-N
MW198.31 g/mol
LogP2.27
Rot. Bonds5

About (E)-N-(2-piperidin-1-ylethoxy)butan-2-imine

(E)-N-(2-piperidin-1-ylethoxy)butan-2-imine (PubChem CID 88539023) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-N-(2-piperidin-1-ylethoxy)butan-2-imine.

Molecular Properties

Compound Name(E)-N-(2-piperidin-1-ylethoxy)butan-2-imine
PubChem CID88539023
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(E)-N-(2-piperidin-1-ylethoxy)butan-2-imine
SMILESCC/C(C)=N/OCCN1CCCCC1
InChIInChI=1S/C11H22N2O/c1-3-11(2)12-14-10-9-13-7-5-4-6-8-13/h3-10H2,1-2H3/b12-11+
InChIKeyFXEDLTWLZDHEHO-VAWYXSNFSA-N
XLogP2.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(E)-3,3-dimethyl-N-(2-piperidin-1-ylethoxy)butan-2-imine
CID 88538855
2-[2-(azepan-1-yl)ethoxy]guanidine;sulfuric acid
CID 90481817
1-(2-ethoxyethyl)piperidine
CID 22622871
1-(2-methoxyethyl)azocane
CID 47014834
methanol;1-propylpiperidine
CID 171515121
(E)-1-(6-methoxynaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride
CID 24983335
(Z)-N-(trimethylsilylmethoxy)butan-2-imine
CID 102437237
N-(2-piperidin-1-ylethoxy)acetamide
CID 110642863
methyl (1E)-N-(2-pyrrolidin-1-ylethoxy)methanimidothioate
CID 172981442
1-[2-(2-chloro-4-ethylhexa-2,4-dien-3-yl)oxyethyl]azepane
CID 123511039
1-[2-[1-[2-(azepan-1-yl)ethoxy]ethoxy]ethyl]azepane
CID 57016594
1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine
CID 142237083

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-piperidin-1-ylethoxy)butan-2-imine?
The IUPAC name of (E)-N-(2-piperidin-1-ylethoxy)butan-2-imine (CID 88539023) is (E)-N-(2-piperidin-1-ylethoxy)butan-2-imine.
What is the SMILES notation for (E)-N-(2-piperidin-1-ylethoxy)butan-2-imine?
The canonical SMILES for (E)-N-(2-piperidin-1-ylethoxy)butan-2-imine is CC/C(C)=N/OCCN1CCCCC1.
What is the InChIKey of (E)-N-(2-piperidin-1-ylethoxy)butan-2-imine?
The InChIKey is FXEDLTWLZDHEHO-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-11(2)12-14-10-9-13-7-5-4-6-8-13/h3-10H2,1-2H3/b12-11+.
What are the key properties of (E)-N-(2-piperidin-1-ylethoxy)butan-2-imine?
(E)-N-(2-piperidin-1-ylethoxy)butan-2-imine has a molecular weight of 198.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-piperidin-1-ylethoxy)butan-2-imine is sourced from PubChem (CID 88539023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).