ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide

C28H49N3 — CID 143659652

IUPACethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide
SMILESC/C=C(/C)C(/C(=N/C=C/C)N/C=C/CCNC1=CCCC=C1CC)C(C)C.C=C.CC
InChIInChI=1S/C24H39N3.C2H6.C2H4/c1-7-16-26-24(23(19(4)5)20(6)8-2)27-18-13-12-17-25-22-15-11-10-14-21(22)9-3;2*1-2/h7-8,13-16,18-19,23,25H,9-12,17H2,1-6H3,(H,26,27);1-2H3;1-2H2/b16-7+,18-13+,20-8-;;
InChIKeyCMDJOSWDUVNFAI-IILIKHRUSA-N
MW427.72 g/mol
LogP8.08
Rot. Bonds10

About ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide

ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide (PubChem CID 143659652) has the molecular formula C28H49N3 and a molecular weight of 427.72 g/mol. Its IUPAC name is ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide.

Molecular Properties

Compound Nameethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide
PubChem CID143659652
Molecular FormulaC28H49N3
Molecular Weight427.72 g/mol
Exact Mass427.39
IUPAC Nameethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide
SMILESC/C=C(/C)C(/C(=N/C=C/C)N/C=C/CCNC1=CCCC=C1CC)C(C)C.C=C.CC
InChIInChI=1S/C24H39N3.C2H6.C2H4/c1-7-16-26-24(23(19(4)5)20(6)8-2)27-18-13-12-17-25-22-15-11-10-14-21(22)9-3;2*1-2/h7-8,13-16,18-19,23,25H,9-12,17H2,1-6H3,(H,26,27);1-2H3;1-2H2/b16-7+,18-13+,20-8-;;
InChIKeyCMDJOSWDUVNFAI-IILIKHRUSA-N
XLogP8.08
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.72
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide with MolForge

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Related Compounds

(Z)-2-(1-aminoethenyl)-N'-(aminomethyl)-4-fluoro-N-(2-methylimino-3-prop-1-en-2-yl-3,4-dihydro-1H-pyridin-5-yl)pent-2-enimidamide
CID 173739569
4-(2,4,6-trimethylcyclohexa-1,5-dien-1-yl)-3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 68252203
N'-methyl-N-[2-(methylideneamino)-2-(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)ethenyl]butanimidamide
CID 123663052
N-ethenyl-N',6,7-trimethyl-5-[1-(2-methyl-1,4-dihydropyrimidin-5-yl)ethyl]cyclohepta-1,3,5-triene-1-carboximidamide
CID 123666018
N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide
CID 123705184
4-[1-(dipropylamino)ethenyl]-8-[3-(ethylamino)propyl]-5a,6-dihydro-3H-1-benzazepin-2-amine
CID 131969119
N-ethyl-7-[(2Z,4E,6E)-10-methylundeca-2,4,6-trien-4-yl]-2,3-dihydropyrido[3,4-b]pyrazin-5-amine
CID 132038569
[2-[di(cyclohexa-1,5-dien-1-yl)-(3-methylcyclohexa-1,3-dien-1-yl)methyl]imino-4-methyl-3,4-dihydro-1H-pyridin-3-yl]methanamine
CID 136611139
(2E)-2-amino-2-[3-(3-methylbutan-2-yl)-1H-pyridin-2-ylidene]-N'-pentylethanimidamide
CID 137215407
(3E)-3-[(E)-6-butyl-7-[[(E)-2,3-dimethylpent-1-enyl]amino]-8-methyldec-7-en-3-ylidene]-N-prop-1-en-2-ylpyrrol-2-amine
CID 138511090
(Z)-N'-[4-(3,4-dihydropyridin-3-yl)cyclohexa-2,4-dien-1-yl]-2-ethyl-3-(methylamino)pent-2-enimidamide
CID 139398825
2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine;(Z)-3,4-dimethyloct-4-ene
CID 142511349

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide?
The IUPAC name of ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide (CID 143659652) is ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide.
What is the SMILES notation for ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide?
The canonical SMILES for ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide is C/C=C(/C)C(/C(=N/C=C/C)N/C=C/CCNC1=CCCC=C1CC)C(C)C.C=C.CC.
What is the InChIKey of ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide?
The InChIKey is CMDJOSWDUVNFAI-IILIKHRUSA-N. The full InChI is InChI=1S/C24H39N3.C2H6.C2H4/c1-7-16-26-24(23(19(4)5)20(6)8-2)27-18-13-12-17-25-22-15-11-10-14-21(22)9-3;2*1-2/h7-8,13-16,18-19,23,25H,9-12,17H2,1-6H3,(H,26,27);1-2H3;1-2H2/b16-7+,18-13+,20-8-;;.
What are the key properties of ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide?
ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide has a molecular weight of 427.72 g/mol, XLogP of 8.08, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(Z)-N-[(E)-4-[(6-ethylcyclohexa-1,5-dien-1-yl)amino]but-1-enyl]-3-methyl-2-propan-2-yl-N'-[(E)-prop-1-enyl]pent-3-enimidamide is sourced from PubChem (CID 143659652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).