ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene

C33H63FN2 — CID 145287373

IUPACethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene
SMILESC=C(C(=C/C)/C(CC)=N/C)N1CCC(C(C)(C)F)CC1.C=C(C)/C=C(/C)C=C(C)C.CC.CC.CC
InChIInChI=1S/C17H29FN2.C10H16.3C2H6/c1-7-15(16(8-2)19-6)13(3)20-11-9-14(10-12-20)17(4,5)18;1-8(2)6-10(5)7-9(3)4;3*1-2/h7,14H,3,8-12H2,1-2,4-6H3;6-7H,1H2,2-5H3;3*1-2H3/b15-7-,19-16+;10-6-;;;
InChIKeyCFZBQPGHXMUPSL-ZNLIRPOSSA-N
MW506.88 g/mol
LogP10.94
Rot. Bonds7

About ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene

ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene (PubChem CID 145287373) has the molecular formula C33H63FN2 and a molecular weight of 506.88 g/mol. Its IUPAC name is ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene
PubChem CID145287373
Molecular FormulaC33H63FN2
Molecular Weight506.88 g/mol
Exact Mass506.50
IUPAC Nameethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene
SMILESC=C(C(=C/C)/C(CC)=N/C)N1CCC(C(C)(C)F)CC1.C=C(C)/C=C(/C)C=C(C)C.CC.CC.CC
InChIInChI=1S/C17H29FN2.C10H16.3C2H6/c1-7-15(16(8-2)19-6)13(3)20-11-9-14(10-12-20)17(4,5)18;1-8(2)6-10(5)7-9(3)4;3*1-2/h7,14H,3,8-12H2,1-2,4-6H3;6-7H,1H2,2-5H3;3*1-2H3/b15-7-,19-16+;10-6-;;;
InChIKeyCFZBQPGHXMUPSL-ZNLIRPOSSA-N
XLogP10.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.88
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene with MolForge

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Related Compounds

(E)-N-[1,5-difluoro-6-[4-(5-fluorocyclohepta-1,4,6-trien-1-yl)piperidin-1-yl]hepta-2,4,6-trien-3-yl]-8-(2,4-dimethyl-3,4-dihydro-2H-pyrrol-5-yl)-N-methyloct-6-en-1-amine
CID 123772633
4,4-difluoro-1-methylpiperidine;ethane;(2Z,4E)-3-methylhexa-2,4-diene;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2,3,4-trimethylpent-1-ene
CID 143721870
4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine
CID 142575265
(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine
CID 145287374
(3E,6Z)-8-cyclopropylidene-6-N-[(5Z,7E)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylnona-5,7-dien-4-ylidene]-5-N,3-dimethylnona-1,3,6-triene-5,6-diimine;(Z)-3,4-dimethyloct-4-ene
CID 142511132
1-[(2E,4Z)-6-[(3Z,6E)-2-cyclobutylidene-7,8-dimethyl-5-methyliminonona-3,6,8-trien-4-yl]imino-7-methylnona-2,4-dien-3-yl]-N,N-diethylpiperidin-4-amine
CID 170019678
(3E,6Z)-8-cyclobutylidene-6-N-[(5Z,7E)-3,5-dimethyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)nona-5,7-dien-4-ylidene]-5-N,2,3-trimethylnona-1,3,6-triene-5,6-diimine
CID 170019794
N-[(1Z,3E)-1-[7-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-3-yl]-3,4-dimethyl-4,5-dihydro-3H-azepin-2-yl]penta-1,3-dien-3-yl]-2-methyl-N-propylhexan-1-amine
CID 170021584
(3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylnona-5,7-dien-4-ylidene]-5-N,3-dimethylnona-1,3,6-triene-5,6-diimine
CID 142511133
(3Z)-3-ethylidene-N-methyl-1-(3-methylhex-1-en-2-yl)piperidin-4-imine
CID 172383499
N-[1-[2-[(3E,5Z)-3,5-dimethylocta-1,3,5-trien-4-yl]iminopropyl]-4-ethenyl-2-methylpiperidin-3-yl]pent-1-en-3-imine
CID 178160696

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene?
The IUPAC name of ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene (CID 145287373) is ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene.
What is the SMILES notation for ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene?
The canonical SMILES for ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene is C=C(C(=C/C)/C(CC)=N/C)N1CCC(C(C)(C)F)CC1.C=C(C)/C=C(/C)C=C(C)C.CC.CC.CC.
What is the InChIKey of ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene?
The InChIKey is CFZBQPGHXMUPSL-ZNLIRPOSSA-N. The full InChI is InChI=1S/C17H29FN2.C10H16.3C2H6/c1-7-15(16(8-2)19-6)13(3)20-11-9-14(10-12-20)17(4,5)18;1-8(2)6-10(5)7-9(3)4;3*1-2/h7,14H,3,8-12H2,1-2,4-6H3;6-7H,1H2,2-5H3;3*1-2H3/b15-7-,19-16+;10-6-;;;.
What are the key properties of ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene?
ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene has a molecular weight of 506.88 g/mol, XLogP of 10.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-[1-[4-(2-fluoropropan-2-yl)piperidin-1-yl]ethenyl]-N-methylhex-4-en-3-imine;(3Z)-2,4,6-trimethylhepta-1,3,5-triene is sourced from PubChem (CID 145287373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).