(1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine

C23H51N5 — CID 143703240

IUPAC(1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine
SMILESC/C=C(\C=C/N(C)C)CCN1CCNCC1.C=C/N=C/C.CC.CC.CCN
InChIInChI=1S/C13H25N3.C4H7N.C2H7N.2C2H6/c1-4-13(5-9-15(2)3)6-10-16-11-7-14-8-12-16;1-3-5-4-2;1-2-3;2*1-2/h4-5,9,14H,6-8,10-12H2,1-3H3;3-4H,1H2,2H3;2-3H2,1H3;2*1-2H3/b9-5-,13-4+;5-4+;;;
InChIKeyDEOONWJUHNJYRV-TUORVMAZSA-N
MW397.70 g/mol
LogP4.54
Rot. Bonds6

About (1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine

(1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine (PubChem CID 143703240) has the molecular formula C23H51N5 and a molecular weight of 397.70 g/mol. Its IUPAC name is (1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine.

Molecular Properties

Compound Name(1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine
PubChem CID143703240
Molecular FormulaC23H51N5
Molecular Weight397.70 g/mol
Exact Mass397.41
IUPAC Name(1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine
SMILESC/C=C(\C=C/N(C)C)CCN1CCNCC1.C=C/N=C/C.CC.CC.CCN
InChIInChI=1S/C13H25N3.C4H7N.C2H7N.2C2H6/c1-4-13(5-9-15(2)3)6-10-16-11-7-14-8-12-16;1-3-5-4-2;1-2-3;2*1-2/h4-5,9,14H,6-8,10-12H2,1-3H3;3-4H,1H2,2H3;2-3H2,1H3;2*1-2H3/b9-5-,13-4+;5-4+;;;
InChIKeyDEOONWJUHNJYRV-TUORVMAZSA-N
XLogP4.54
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.70
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,3Z)-3-(2-aminoethyl)penta-1,3-dienyl]-propylazanium;ethane;1,1,4-trimethylpiperazine-1,4-diium
CID 141949310
1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine
CID 142954218
(2E)-N-[2-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[(methylideneamino)methylidene]but-3-en-1-amine;methanamine
CID 143375391
N-[(1Z,3Z)-3-(2-piperazin-1-ylethyl)penta-1,3-dienyl]methanimine
CID 144105631
N-(2-cyclohepta-1,4,6-trien-1-ylethyl)-N,N'-dimethyl-N'-[1-[(Z)-2-methyliminoethylideneamino]ethenyl]ethane-1,2-diamine;N-[(2Z,4Z)-hepta-2,4-dien-2-yl]methanimine;N-methylethanamine
CID 144147440
3-(2-Azaniumylethyl)hexa-1,3,5-trienyl-[3-(1,4-dimethylpiperazine-1,4-diium-1-yl)propyl]azanium
CID 163794993
(2E,4E,6E)-5,7-dimethyl-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-ylnona-2,4,6-trien-3-amine
CID 168936902
(2E,4E)-N-[[5,6-dimethyl-4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-ylhepta-2,4-dien-3-amine
CID 168937174
4-piperazin-1-yl-N-[[(4Z)-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-1,2-dihydropyridin-5-amine;N-[(Z)-prop-1-enyl]methanimine
CID 168937351
7-ethenylimino-N-methyl-4-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]hepta-1,3,5-trien-3-amine
CID 173739228
(2E,4E,6E)-7-methyl-N-[[(4E)-6-methyl-3-[(Z)-prop-1-enyl]imino-4-propylidenecyclohexa-1,5-dien-1-yl]methyl]-4-piperazin-1-ylnona-2,4,6-trien-3-amine
CID 176691472
(1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine
CID 142149416

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine?
The IUPAC name of (1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine (CID 143703240) is (1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine.
What is the SMILES notation for (1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine?
The canonical SMILES for (1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine is C/C=C(\C=C/N(C)C)CCN1CCNCC1.C=C/N=C/C.CC.CC.CCN.
What is the InChIKey of (1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine?
The InChIKey is DEOONWJUHNJYRV-TUORVMAZSA-N. The full InChI is InChI=1S/C13H25N3.C4H7N.C2H7N.2C2H6/c1-4-13(5-9-15(2)3)6-10-16-11-7-14-8-12-16;1-3-5-4-2;1-2-3;2*1-2/h4-5,9,14H,6-8,10-12H2,1-3H3;3-4H,1H2,2H3;2-3H2,1H3;2*1-2H3/b9-5-,13-4+;5-4+;;;.
What are the key properties of (1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine?
(1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine has a molecular weight of 397.70 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine is sourced from PubChem (CID 143703240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).