N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane

C14H27N3 — CID 145197924

IUPACN-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane
SMILESC=C(/C=N/C(C)=C\C)CN1CCNCC1.CC
InChIInChI=1S/C12H21N3.C2H6/c1-4-12(3)14-9-11(2)10-15-7-5-13-6-8-15;1-2/h4,9,13H,2,5-8,10H2,1,3H3;1-2H3/b12-4-,14-9+;
InChIKeyQUNHXPKHKHKSQA-RGNOGYNRSA-N
MW237.39 g/mol
LogP2.47
Rot. Bonds4

About N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane

N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane (PubChem CID 145197924) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane
PubChem CID145197924
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane
SMILESC=C(/C=N/C(C)=C\C)CN1CCNCC1.CC
InChIInChI=1S/C12H21N3.C2H6/c1-4-12(3)14-9-11(2)10-15-7-5-13-6-8-15;1-2/h4,9,13H,2,5-8,10H2,1,3H3;1-2H3/b12-4-,14-9+;
InChIKeyQUNHXPKHKHKSQA-RGNOGYNRSA-N
XLogP2.47
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.47
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

1-N-ethyl-1-N-[(Z)-2-(2-methylidenebutylideneamino)but-2-enyl]propane-1,2-diamine
CID 88061817
(2E)-N-methyl-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 117943486
2-Piperazin-1-ylbut-2-en-1-imine
CID 123781310
N-ethyl-2-piperazin-1-ylbut-2-en-1-imine
CID 124033166
(E)-N-[(Z)-but-2-en-2-yl]-2-piperazin-1-ylbut-2-en-1-imine
CID 134405853
(E)-2-piperazin-1-yl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406060
N-methyl-N-[4-[(Z)-2-(prop-1-en-2-yliminomethyl)but-2-enyl]piperazin-1-yl]sulfanylmethanamine
CID 134406069
(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406286
N'-[2-[[(Z)-but-2-en-2-yl]iminomethyl]prop-2-enyl]-N-ethylethane-1,2-diamine
CID 134406303
N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine
CID 134406371
N-ethyl-N'-methyl-N'-[(Z)-2-(prop-1-en-2-yliminomethyl)but-2-enyl]ethane-1,2-diamine
CID 134406419
(2E,4E)-N-methyl-2-piperazin-1-ylhexa-2,4-dien-1-imine
CID 134406692

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane (CID 145197924) is N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane is C=C(/C=N/C(C)=C\C)CN1CCNCC1.CC.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane?
The InChIKey is QUNHXPKHKHKSQA-RGNOGYNRSA-N. The full InChI is InChI=1S/C12H21N3.C2H6/c1-4-12(3)14-9-11(2)10-15-7-5-13-6-8-15;1-2/h4,9,13H,2,5-8,10H2,1,3H3;1-2H3/b12-4-,14-9+;.
What are the key properties of N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane?
N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane has a molecular weight of 237.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane is sourced from PubChem (CID 145197924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).