ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine

C15H29N3 — CID 145198219

IUPACethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\CC)CN1CCNCC1.CC
InChIInChI=1S/C13H23N3.C2H6/c1-4-5-13(10-15-12(2)3)11-16-8-6-14-7-9-16;1-2/h5,10,14H,2,4,6-9,11H2,1,3H3;1-2H3/b13-5+,15-10+;
InChIKeySFBXUCZGXMVYCL-KUVOYXACSA-N
MW251.42 g/mol
LogP2.86
Rot. Bonds5

About ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine

ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine (PubChem CID 145198219) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine
PubChem CID145198219
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Nameethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\CC)CN1CCNCC1.CC
InChIInChI=1S/C13H23N3.C2H6/c1-4-5-13(10-15-12(2)3)11-16-8-6-14-7-9-16;1-2/h5,10,14H,2,4,6-9,11H2,1,3H3;1-2H3/b13-5+,15-10+;
InChIKeySFBXUCZGXMVYCL-KUVOYXACSA-N
XLogP2.86
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.86
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
1-(6-But-1-en-2-yl-2,3-dihydropyridin-5-yl)piperazine
CID 117852720
6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489361
2,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491784
2-ethyl-6-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118493377
1-(2,3-Dihydropyridin-5-yl)piperazine
CID 123318948
(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine
CID 123800549
(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine
CID 134406002
7-methyl-4-piperazin-1-yl-3H-azepine
CID 134406025
N'-[(E)-5-[(Z)-but-2-en-2-yl]iminopent-2-en-3-yl]-N,N'-diethylethane-1,2-diamine
CID 134406029
2-methyl-6-piperazin-1-yl-4H-azepine
CID 134406048
2-methyl-6-piperazin-1-yl-2H-azepine
CID 134406061

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine?
The IUPAC name of ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine (CID 145198219) is ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine?
The canonical SMILES for ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine is C=C(C)/N=C/C(=C\CC)CN1CCNCC1.CC.
What is the InChIKey of ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine?
The InChIKey is SFBXUCZGXMVYCL-KUVOYXACSA-N. The full InChI is InChI=1S/C13H23N3.C2H6/c1-4-5-13(10-15-12(2)3)11-16-8-6-14-7-9-16;1-2/h5,10,14H,2,4,6-9,11H2,1,3H3;1-2H3/b13-5+,15-10+;.
What are the key properties of ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine?
ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine has a molecular weight of 251.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylpent-2-en-1-imine is sourced from PubChem (CID 145198219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).