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

C15H33N3 — CID 177321722

IUPACethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine
SMILESCC.CC.CC1CCN(CC/N=C/C=C\N)CC1
InChIInChI=1S/C11H21N3.2C2H6/c1-11-3-8-14(9-4-11)10-7-13-6-2-5-12;2*1-2/h2,5-6,11H,3-4,7-10,12H2,1H3;2*1-2H3/b5-2-,13-6+;;
InChIKeyXXLCPDHVJSKDGF-VWBCJUAWSA-N
MW255.45 g/mol
LogP3.31
Rot. Bonds4

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

ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine (PubChem CID 177321722) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine
PubChem CID177321722
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Nameethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine
SMILESCC.CC.CC1CCN(CC/N=C/C=C\N)CC1
InChIInChI=1S/C11H21N3.2C2H6/c1-11-3-8-14(9-4-11)10-7-13-6-2-5-12;2*1-2/h2,5-6,11H,3-4,7-10,12H2,1H3;2*1-2H3/b5-2-,13-6+;;
InChIKeyXXLCPDHVJSKDGF-VWBCJUAWSA-N
XLogP3.31
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Methylpiperidin-1-yl)-1,2-dihydropyrimidine
CID 70338609
(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)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine
CID 177321723

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine?
The IUPAC name of ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine (CID 177321722) is ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine is CC.CC.CC1CCN(CC/N=C/C=C\N)CC1.
What is the InChIKey of ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine?
The InChIKey is XXLCPDHVJSKDGF-VWBCJUAWSA-N. The full InChI is InChI=1S/C11H21N3.2C2H6/c1-11-3-8-14(9-4-11)10-7-13-6-2-5-12;2*1-2/h2,5-6,11H,3-4,7-10,12H2,1H3;2*1-2H3/b5-2-,13-6+;;.
What are the key properties of ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine?
ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine is sourced from PubChem (CID 177321722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).