ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine

C15H32N2 — CID 169104152

IUPACethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine
SMILESC=C/C=N/C=C.CC.CC.CC1CCNCC1
InChIInChI=1S/C6H13N.C5H7N.2C2H6/c1-6-2-4-7-5-3-6;1-3-5-6-4-2;2*1-2/h6-7H,2-5H2,1H3;3-5H,1-2H2;2*1-2H3/b;6-5+;;
InChIKeyQFKKZINZVHJAQK-BWVIBOQJSA-N
MW240.43 g/mol
LogP4.45
Rot. Bonds2

About ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine

ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine (PubChem CID 169104152) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine.

Molecular Properties

Compound Nameethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine
PubChem CID169104152
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Nameethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine
SMILESC=C/C=N/C=C.CC.CC.CC1CCNCC1
InChIInChI=1S/C6H13N.C5H7N.2C2H6/c1-6-2-4-7-5-3-6;1-3-5-6-4-2;2*1-2/h6-7H,2-5H2,1H3;3-5H,1-2H2;2*1-2H3/b;6-5+;;
InChIKeyQFKKZINZVHJAQK-BWVIBOQJSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
2-(3,4-dihydropyridin-4-yl)-N-ethylethanamine
CID 89305746
N-[(Z)-but-1-enyl]ethanimine;4-methylpiperidine;prop-1-yne
CID 143115622
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-ethylethanimine;N-methylethenamine;4-methylpiperidine
CID 169104175
4-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide
CID 169104198
3-methyl-N-(3-methyliminoprop-1-enyl)pentan-1-amine
CID 173752987
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
(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;N-ethenylprop-2-en-1-imine;4-methylpiperidine?
The IUPAC name of ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine (CID 169104152) is ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine.
What is the SMILES notation for ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine?
The canonical SMILES for ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine is C=C/C=N/C=C.CC.CC.CC1CCNCC1.
What is the InChIKey of ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine?
The InChIKey is QFKKZINZVHJAQK-BWVIBOQJSA-N. The full InChI is InChI=1S/C6H13N.C5H7N.2C2H6/c1-6-2-4-7-5-3-6;1-3-5-6-4-2;2*1-2/h6-7H,2-5H2,1H3;3-5H,1-2H2;2*1-2H3/b;6-5+;;.
What are the key properties of ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine?
ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine has a molecular weight of 240.43 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine is sourced from PubChem (CID 169104152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).