ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine

C17H34N2 — CID 143841173

IUPACethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine
SMILESC/C=C\C(C)=N\C=C(/C)C1CCNCC1.CC.CC
InChIInChI=1S/C13H22N2.2C2H6/c1-4-5-12(3)15-10-11(2)13-6-8-14-9-7-13;2*1-2/h4-5,10,13-14H,6-9H2,1-3H3;2*1-2H3/b5-4-,11-10+,15-12+;;
InChIKeyZKSNXVQJEITTAG-NDBNLOFLSA-N
MW266.47 g/mol
LogP4.98
Rot. Bonds3

About ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine

ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine (PubChem CID 143841173) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine.

Molecular Properties

Compound Nameethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine
PubChem CID143841173
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Nameethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine
SMILESC/C=C\C(C)=N\C=C(/C)C1CCNCC1.CC.CC
InChIInChI=1S/C13H22N2.2C2H6/c1-4-5-12(3)15-10-11(2)13-6-8-14-9-7-13;2*1-2/h4-5,10,13-14H,6-9H2,1-3H3;2*1-2H3/b5-4-,11-10+,15-12+;;
InChIKeyZKSNXVQJEITTAG-NDBNLOFLSA-N
XLogP4.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.98
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

(1Z,4Z)-6-ethylimino-N'-[2-(4-fluoropiperidin-4-yl)ethyl]-3-methylidene-2-piperidin-4-ylhepta-1,4-diene-1,7-diamine
CID 138711447
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
4-methanidylpiperidine;5-methyl-2H-pyridin-2-ide;yttrium
CID 59718538
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
(E)-4-piperidin-4-ylpent-3-en-2-imine
CID 123268672
7-ethyl-5-(2-piperidin-4-ylethyl)-4H-azepine
CID 123370701
(E)-4-piperidin-3-ylpent-3-en-2-imine
CID 123503371
1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine
CID 141203200
ethane;3-methyl-6,7,8,9-tetrahydro-4H-pyrido[4,3-b]azepine
CID 141929412
ethane;1-N-methyl-1-piperidin-4-yl-2-N-[(Z)-prop-1-enyl]but-3-ene-1,2-diimine
CID 142137752
(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 142833341
5-methyl-2-piperidin-4-yl-3H-azepine
CID 142941013

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine?
The IUPAC name of ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine (CID 143841173) is ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine.
What is the SMILES notation for ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine?
The canonical SMILES for ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine is C/C=C\C(C)=N\C=C(/C)C1CCNCC1.CC.CC.
What is the InChIKey of ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine?
The InChIKey is ZKSNXVQJEITTAG-NDBNLOFLSA-N. The full InChI is InChI=1S/C13H22N2.2C2H6/c1-4-5-12(3)15-10-11(2)13-6-8-14-9-7-13;2*1-2/h4-5,10,13-14H,6-9H2,1-3H3;2*1-2H3/b5-4-,11-10+,15-12+;;.
What are the key properties of ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine?
ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine has a molecular weight of 266.47 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[(E)-2-piperidin-4-ylprop-1-enyl]pent-3-en-2-imine is sourced from PubChem (CID 143841173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).