(Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine

C13H22N2 — CID 144598575

IUPAC(Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine
SMILESC=C(C)/C=N\C(=C\CC)N1CCCCC1
InChIInChI=1S/C13H22N2/c1-4-8-13(14-11-12(2)3)15-9-6-5-7-10-15/h8,11H,2,4-7,9-10H2,1,3H3/b13-8-,14-11-
InChIKeyMRMUMZUPIGDNEZ-IPLJFLPMSA-N
MW206.33 g/mol
LogP3.37
Rot. Bonds4

About (Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine

(Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine (PubChem CID 144598575) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine
PubChem CID144598575
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine
SMILESC=C(C)/C=N\C(=C\CC)N1CCCCC1
InChIInChI=1S/C13H22N2/c1-4-8-13(14-11-12(2)3)15-9-6-5-7-10-15/h8,11H,2,4-7,9-10H2,1,3H3/b13-8-,14-11-
InChIKeyMRMUMZUPIGDNEZ-IPLJFLPMSA-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

5-Methyl-2-piperidin-1-yl-2,3-dihydropyridine
CID 129215968
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
3-Methyl-6-piperidin-1-yl-3,4-dihydropyridine
CID 146281395
N-[(Z)-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine
CID 156727096
N-[(Z)-1-piperidin-1-ylbut-1-enyl]ethanimine
CID 173856099
(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,Z)-2-ethyl-N-[2-methyl-1-(4-methylpiperidin-1-yl)prop-1-enyl]but-2-en-1-imine
CID 144405793
(Z,Z)-2-ethyl-N-[1-(4-methylpiperidin-1-yl)ethenyl]but-2-en-1-imine
CID 144405849
(Z,E)-2-chloro-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
CID 144598438
(Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
CID 144598444

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine?
The IUPAC name of (Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine (CID 144598575) is (Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for (Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine?
The canonical SMILES for (Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine is C=C(C)/C=N\C(=C\CC)N1CCCCC1.
What is the InChIKey of (Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine?
The InChIKey is MRMUMZUPIGDNEZ-IPLJFLPMSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-8-13(14-11-12(2)3)15-9-6-5-7-10-15/h8,11H,2,4-7,9-10H2,1,3H3/b13-8-,14-11-.
What are the key properties of (Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine?
(Z)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-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)-2-methyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 144598575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).