(Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine

C13H22N2 — CID 144598531

IUPAC(Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine
SMILESC=C(/N=C\C(=C/C)CC)N1CCCCC1
InChIInChI=1S/C13H22N2/c1-4-13(5-2)11-14-12(3)15-9-7-6-8-10-15/h4,11H,3,5-10H2,1-2H3/b13-4-,14-11-
InChIKeyDUQSAKFKZDGMKI-HMBLOGERSA-N
MW206.33 g/mol
LogP3.37
Rot. Bonds4

About (Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine

(Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine (PubChem CID 144598531) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine
PubChem CID144598531
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine
SMILESC=C(/N=C\C(=C/C)CC)N1CCCCC1
InChIInChI=1S/C13H22N2/c1-4-13(5-2)11-14-12(3)15-9-7-6-8-10-15/h4,11H,3,5-10H2,1-2H3/b13-4-,14-11-
InChIKeyDUQSAKFKZDGMKI-HMBLOGERSA-N
XLogP3.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine
CID 57063594
5-Methyl-2-piperidin-1-yl-2,3-dihydropyridine
CID 129215968
2-piperidin-1-yl-4H-azepine
CID 134292058
4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine
CID 143046625
4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine
CID 143059291
ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
CID 143093197
ethane;6-methyl-2-piperidin-1-yl-4H-azepine
CID 143901677
(Z)-N-[1-(azepan-1-yl)ethenyl]-2-methylpent-2-en-1-imine
CID 173520328
(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
CID 143093198
6-methyl-2-piperidin-1-yl-4H-azepine
CID 143901678
(Z,2Z)-2-ethylidene-4-methyl-N-[1-(4-methylpiperidin-1-yl)ethenyl]pent-3-en-1-imine
CID 144405744
(Z,Z)-2-ethyl-N-[2-methyl-1-(4-methylpiperidin-1-yl)prop-1-enyl]but-2-en-1-imine
CID 144405793

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine?
The IUPAC name of (Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine (CID 144598531) is (Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine.
What is the SMILES notation for (Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine?
The canonical SMILES for (Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine is C=C(/N=C\C(=C/C)CC)N1CCCCC1.
What is the InChIKey of (Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine?
The InChIKey is DUQSAKFKZDGMKI-HMBLOGERSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-13(5-2)11-14-12(3)15-9-7-6-8-10-15/h4,11H,3,5-10H2,1-2H3/b13-4-,14-11-.
What are the key properties of (Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine?
(Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine has a molecular weight of 206.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine is sourced from PubChem (CID 144598531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).