ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine

C13H26N2 — CID 156796146

IUPACethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine
SMILESC/C=N/C(=C\CC)C1CCNCC1.CC
InChIInChI=1S/C11H20N2.C2H6/c1-3-5-11(13-4-2)10-6-8-12-9-7-10;1-2/h4-5,10,12H,3,6-9H2,1-2H3;1-2H3/b11-5-,13-4+;
InChIKeyIZQVKFUCDVNTTK-YJXKYVIOSA-N
MW210.36 g/mol
LogP3.40
Rot. Bonds3

About ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine

ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine (PubChem CID 156796146) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine
PubChem CID156796146
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine
SMILESC/C=N/C(=C\CC)C1CCNCC1.CC
InChIInChI=1S/C11H20N2.C2H6/c1-3-5-11(13-4-2)10-6-8-12-9-7-10;1-2/h4-5,10,12H,3,6-9H2,1-2H3;1-2H3/b11-5-,13-4+;
InChIKeyIZQVKFUCDVNTTK-YJXKYVIOSA-N
XLogP3.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.40
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

Hexahydro-1,6-naphthyridine
CID 142921049
N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine
CID 170199610
1,6-Naphthyridine-d8
CID 129654637
4-(3H-pyrrol-5-ylmethyl)piperidine
CID 54520917
6-Methyl-3-piperidin-4-yl-3,4-dihydropyridine
CID 69355119
(2E)-2-(ethylideneamino)-N,5-dimethylnona-2,8-dien-4-amine
CID 89503467
6-Piperidin-3-yl-3,4-dihydropyridine
CID 90103419
ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 90763652
(2E)-4-methyl-2-piperidin-3-ylidene-4,5-dihydro-3H-pyridine
CID 90918902
(Z)-N-butyl-5-ethyl-7-imino-6-methylhept-3-en-4-amine
CID 91407704
6-(3-Methylbutyl)-1,2-dihydropyrimidine
CID 121383170
(E)-4-piperidin-4-ylpent-3-en-2-imine
CID 123268672

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine?
The IUPAC name of ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine (CID 156796146) is ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine.
What is the SMILES notation for ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine?
The canonical SMILES for ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine is C/C=N/C(=C\CC)C1CCNCC1.CC.
What is the InChIKey of ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine?
The InChIKey is IZQVKFUCDVNTTK-YJXKYVIOSA-N. The full InChI is InChI=1S/C11H20N2.C2H6/c1-3-5-11(13-4-2)10-6-8-12-9-7-10;1-2/h4-5,10,12H,3,6-9H2,1-2H3;1-2H3/b11-5-,13-4+;.
What are the key properties of ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine?
ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine has a molecular weight of 210.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine is sourced from PubChem (CID 156796146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).