ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine

C16H31N3 — CID 145198389

IUPACethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCN(CCC)CC1.CC
InChIInChI=1S/C14H25N3.C2H6/c1-5-6-16-7-9-17(10-8-16)12-14(4)11-15-13(2)3;1-2/h11H,2,4-10,12H2,1,3H3;1-2H3/b15-11+;
InChIKeyRHZZBVFKLKLUIH-KRWCAOSLSA-N
MW265.44 g/mol
LogP3.20
Rot. Bonds6

About ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine

ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine (PubChem CID 145198389) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine.

Molecular Properties

Compound Nameethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine
PubChem CID145198389
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Nameethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine
SMILESC=C(/C=N/C(=C)C)CN1CCN(CCC)CC1.CC
InChIInChI=1S/C14H25N3.C2H6/c1-5-6-16-7-9-17(10-8-16)12-14(4)11-15-13(2)3;1-2/h11H,2,4-10,12H2,1,3H3;1-2H3/b15-11+;
InChIKeyRHZZBVFKLKLUIH-KRWCAOSLSA-N
XLogP3.20
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[4-[(Z)-2-(prop-1-en-2-yliminomethyl)but-2-enyl]piperazin-1-yl]sulfanylmethanamine
CID 134406069
ethane;2-[(2-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197690
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
N-[(Z)-but-2-en-2-yl]-2-(piperazin-1-ylmethyl)prop-2-en-1-imine;ethane
CID 145198109
(Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]-2-[(4-methylpiperazin-1-yl)methyl]but-2-en-1-imine
CID 145198155
ethane;2-[[4-(2-nitrosoethyl)piperazin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145198170
2-[4-[2-(Prop-1-en-2-yliminomethyl)prop-2-enyl]piperazin-1-yl]ethanamine
CID 145198212
ethane;2-[(4-methylpiperazin-1-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145198328
ethane;2-[[2-methyl-4-(2-nitrosoethyl)piperazin-1-yl]methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145198346
ethane;N-methyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-imine
CID 172360273

Frequently Asked Questions

What is the IUPAC name of ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine?
The IUPAC name of ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine (CID 145198389) is ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine.
What is the SMILES notation for ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine?
The canonical SMILES for ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine is C=C(/C=N/C(=C)C)CN1CCN(CCC)CC1.CC.
What is the InChIKey of ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine?
The InChIKey is RHZZBVFKLKLUIH-KRWCAOSLSA-N. The full InChI is InChI=1S/C14H25N3.C2H6/c1-5-6-16-7-9-17(10-8-16)12-14(4)11-15-13(2)3;1-2/h11H,2,4-10,12H2,1,3H3;1-2H3/b15-11+;.
What are the key properties of ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine?
ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine has a molecular weight of 265.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-prop-1-en-2-yl-2-[(4-propylpiperazin-1-yl)methyl]prop-2-en-1-imine is sourced from PubChem (CID 145198389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).