ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine

C14H27N3 — CID 145197690

IUPACethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCNCC1C.CC
InChIInChI=1S/C12H21N3.C2H6/c1-10(2)14-7-11(3)9-15-6-5-13-8-12(15)4;1-2/h7,12-13H,1,3,5-6,8-9H2,2,4H3;1-2H3/b14-7+;
InChIKeyIUCYAWYNVLUKEZ-FJUODKGNSA-N
MW237.39 g/mol
LogP2.47
Rot. Bonds4

About ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine

ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine (PubChem CID 145197690) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Nameethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
PubChem CID145197690
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Nameethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCNCC1C.CC
InChIInChI=1S/C12H21N3.C2H6/c1-10(2)14-7-11(3)9-15-6-5-13-8-12(15)4;1-2/h7,12-13H,1,3,5-6,8-9H2,2,4H3;1-2H3/b14-7+;
InChIKeyIUCYAWYNVLUKEZ-FJUODKGNSA-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
N-[(E)-2-methyl-3-(3-methylpiperazin-1-yl)prop-2-enylidene]methanimidamide
CID 118973125
(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
2-piperazin-1-yl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 134406723
N-[(2Z,4E)-5-methyl-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine
CID 134406725
ethane;2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine;piperazine
CID 145197611
ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197718
2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197719
ethane;2-[(4-ethylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197763

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
The IUPAC name of ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine (CID 145197690) is ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine.
What is the SMILES notation for ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
The canonical SMILES for ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine is C=C(/C=N/C(=C)C)CN1CCNCC1C.CC.
What is the InChIKey of ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
The InChIKey is IUCYAWYNVLUKEZ-FJUODKGNSA-N. The full InChI is InChI=1S/C12H21N3.C2H6/c1-10(2)14-7-11(3)9-15-6-5-13-8-12(15)4;1-2/h7,12-13H,1,3,5-6,8-9H2,2,4H3;1-2H3/b14-7+;.
What are the key properties of ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine?
ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine 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 ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine is sourced from PubChem (CID 145197690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).