(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine

C11H21N3 — CID 177321723

IUPAC(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine
SMILESCC1CCN(CC/N=C/C=C\N)CC1
InChIInChI=1S/C11H21N3/c1-11-3-8-14(9-4-11)10-7-13-6-2-5-12/h2,5-6,11H,3-4,7-10,12H2,1H3/b5-2-,13-6+
InChIKeyFUTFWTDJIVTIJY-RIKACAKKSA-N
MW195.31 g/mol
LogP1.26
Rot. Bonds4

About (Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine

(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine (PubChem CID 177321723) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine
PubChem CID177321723
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine
SMILESCC1CCN(CC/N=C/C=C\N)CC1
InChIInChI=1S/C11H21N3/c1-11-3-8-14(9-4-11)10-7-13-6-2-5-12/h2,5-6,11H,3-4,7-10,12H2,1H3/b5-2-,13-6+
InChIKeyFUTFWTDJIVTIJY-RIKACAKKSA-N
XLogP1.26
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methylpiperidin-1-yl)-1,2-dihydropyrimidine
CID 70338609
ethane;2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine
CID 143255842
(9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene
CID 156711968
ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine
CID 169104152
(Z)-N'-methylidene-N-[(4-methylpiperidin-1-yl)methyl]prop-2-ene-1,3-diimine
CID 174108794
ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine
CID 177321722
2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine
CID 143255843

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine?
The IUPAC name of (Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine (CID 177321723) is (Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine is CC1CCN(CC/N=C/C=C\N)CC1.
What is the InChIKey of (Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine?
The InChIKey is FUTFWTDJIVTIJY-RIKACAKKSA-N. The full InChI is InChI=1S/C11H21N3/c1-11-3-8-14(9-4-11)10-7-13-6-2-5-12/h2,5-6,11H,3-4,7-10,12H2,1H3/b5-2-,13-6+.
What are the key properties of (Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine?
(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine is sourced from PubChem (CID 177321723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).