3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine

C30H49N7 — CID 143280824

IUPAC3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine
SMILESC=C(C)C1C=CC(CN2CCC(N3CCN(C4=NC(N)C(C(=C)NCC)N=C4C)CC3CC)CC2)=CC1
InChIInChI=1S/C30H49N7/c1-7-26-20-36(30-23(6)33-28(29(31)34-30)22(5)32-8-2)17-18-37(26)27-13-15-35(16-14-27)19-24-9-11-25(12-10-24)21(3)4/h9-11,25-29,32H,3,5,7-8,12-20,31H2,1-2,4,6H3
InChIKeyIKHINDCUHORQHX-UHFFFAOYSA-N
MW507.77 g/mol
LogP3.58
Rot. Bonds8

About 3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine

3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine (PubChem CID 143280824) has the molecular formula C30H49N7 and a molecular weight of 507.77 g/mol. Its IUPAC name is 3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine.

Molecular Properties

Compound Name3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine
PubChem CID143280824
Molecular FormulaC30H49N7
Molecular Weight507.77 g/mol
Exact Mass507.40
IUPAC Name3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine
SMILESC=C(C)C1C=CC(CN2CCC(N3CCN(C4=NC(N)C(C(=C)NCC)N=C4C)CC3CC)CC2)=CC1
InChIInChI=1S/C30H49N7/c1-7-26-20-36(30-23(6)33-28(29(31)34-30)22(5)32-8-2)17-18-37(26)27-13-15-35(16-14-27)19-24-9-11-25(12-10-24)21(3)4/h9-11,25-29,32H,3,5,7-8,12-20,31H2,1-2,4,6H3
InChIKeyIKHINDCUHORQHX-UHFFFAOYSA-N
XLogP3.58
TPSA72.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.77
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine with MolForge

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Related Compounds

(4Z)-6-[4-[1-[(2E)-6-fluoro-2-methylhepta-2,4-dienyl]piperidin-4-yl]piperazin-1-yl]-N-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-3,5-dimethyl-6-methyliminohexa-1,4-dien-2-amine
CID 143279910
12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine
CID 91002845
N-[(1Z)-1-(6-ethenylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-6-[(1-methylpiperidin-4-yl)methyl]-2,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-amine
CID 91067657
1,5-Dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
CID 123789944
[1-[C-(6-methyl-2,3-dihydropyrazin-5-yl)-N-[1-(4-piperidin-1-ylcyclohepta-1,3,5-trien-1-yl)ethyl]carbonimidoyl]piperidin-4-yl]methanamine
CID 132038402
N-methyl-7-[(2E,4Z)-6-(1-methylpiperidin-4-yl)hepta-2,4,6-trien-3-yl]-2,3-dihydropyrido[3,4-b]pyrazin-5-amine
CID 132039311
1-cyclobutyl-N-[[3-(2,6-dimethylidenepiperidin-3-yl)-2-methyl-4-methylidene-5,6-dihydroquinazolin-5-yl]methyl]ethenamine
CID 132064841
3-methyl-1-[4-[[7-[(2-methyl-7H-benzimidazol-4-yl)methyl]-1,4-dihydrobenzimidazol-2-ylidene]amino]piperidin-1-yl]butan-2-amine
CID 136419982
(E)-N-[3,3-di(cyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]-3-ethenyl-1-(4-methyliminopiperidin-1-yl)pent-3-en-2-amine
CID 141809173
1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N-ethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene
CID 142510937
4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine
CID 142511178
(2E)-1-[4-cyclopropylidene-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511187

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine?
The IUPAC name of 3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine (CID 143280824) is 3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine.
What is the SMILES notation for 3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine?
The canonical SMILES for 3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine is C=C(C)C1C=CC(CN2CCC(N3CCN(C4=NC(N)C(C(=C)NCC)N=C4C)CC3CC)CC2)=CC1.
What is the InChIKey of 3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine?
The InChIKey is IKHINDCUHORQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N7/c1-7-26-20-36(30-23(6)33-28(29(31)34-30)22(5)32-8-2)17-18-37(26)27-13-15-35(16-14-27)19-24-9-11-25(12-10-24)21(3)4/h9-11,25-29,32H,3,5,7-8,12-20,31H2,1-2,4,6H3.
What are the key properties of 3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine?
3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine has a molecular weight of 507.77 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine is sourced from PubChem (CID 143280824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).