4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene

C30H54F2N2 — CID 143722040

IUPAC4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene
SMILESC=C(C)/C(C)=N/C(C)=C(C)/C=C\C=C/C.C=C(C)C.C=CCCC.CC.FC1(F)CCNCC1
InChIInChI=1S/C14H21N.C5H9F2N.C5H10.C4H8.C2H6/c1-7-8-9-10-12(4)14(6)15-13(5)11(2)3;6-5(7)1-3-8-4-2-5;1-3-5-4-2;1-4(2)3;1-2/h7-10H,2H2,1,3-6H3;8H,1-4H2;3H,1,4-5H2,2H3;1H2,2-3H3;1-2H3/b8-7-,10-9-,14-12+,15-13+;;;;
InChIKeyQAZYRYNYJUVVSY-OSLKJGBRSA-N
MW480.77 g/mol
LogP10.04
Rot. Bonds6

About 4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene

4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene (PubChem CID 143722040) has the molecular formula C30H54F2N2 and a molecular weight of 480.77 g/mol. Its IUPAC name is 4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene.

Molecular Properties

Compound Name4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene
PubChem CID143722040
Molecular FormulaC30H54F2N2
Molecular Weight480.77 g/mol
Exact Mass480.43
IUPAC Name4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene
SMILESC=C(C)/C(C)=N/C(C)=C(C)/C=C\C=C/C.C=C(C)C.C=CCCC.CC.FC1(F)CCNCC1
InChIInChI=1S/C14H21N.C5H9F2N.C5H10.C4H8.C2H6/c1-7-8-9-10-12(4)14(6)15-13(5)11(2)3;6-5(7)1-3-8-4-2-5;1-3-5-4-2;1-4(2)3;1-2/h7-10H,2H2,1,3-6H3;8H,1-4H2;3H,1,4-5H2,2H3;1H2,2-3H3;1-2H3/b8-7-,10-9-,14-12+,15-13+;;;;
InChIKeyQAZYRYNYJUVVSY-OSLKJGBRSA-N
XLogP10.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.77
LogP ≤ 510.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene with MolForge

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Related Compounds

(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
CID 163607220
N-[(3Z)-3-[C-(difluoromethyl)-N-methylcarbonimidoyl]-5-methylhexa-1,3,5-trien-2-yl]cyclohexanamine
CID 167055985
ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium
CID 167493162
(E)-N-[(1E,3E)-1-(3,3-difluorobutan-2-ylideneamino)hepta-1,3-dien-2-yl]-2-[(Z)-prop-1-enyl]imino-3-propylhex-3-en-1-amine
CID 169205430
(4E)-2-N-[[7-(1,1-difluoroethyl)-1-azacyclohepta-2,4,5,7-tetraen-4-yl]methyl]-4-ethyl-6-methyl-3-methylidene-7-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]octa-1,4,7-triene-2,7-diamine
CID 143344415
(1E,3Z)-N'-butyl-N'-(3,3-difluoropropyl)-2-ethyl-5-methyliminonona-1,3-diene-1,9-diamine
CID 155709907
(E,3E)-N-[(E)-but-1-enyl]-3-[1-(3-methylpiperazin-1-yl)ethylidene]-4-(trifluoromethyl)hex-4-en-2-imine
CID 168184341
(E,3E)-N-[(E)-but-1-enyl]-4-(difluoromethyl)-3-[1-(3-methylpiperazin-1-yl)ethylidene]hex-4-en-2-imine
CID 168185409
(E,3E)-N-[(E)-but-1-enyl]-3-[1-(2,5-dimethylpiperazin-1-yl)ethylidene]-4-(trifluoromethyl)hex-4-en-2-imine
CID 168186096
3-[(2E,4Z,6Z)-3-methyl-1-piperidin-1-ylocta-2,4,6-trien-2-yl]imino-N-propylpent-1-en-2-amine
CID 143721682
(1E,3Z)-N'-butyl-N'-(3,3-difluoropropyl)-2-ethyl-5-methyliminonona-1,3-diene-1,9-diamine;ethane;ethene
CID 155709906

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene?
The IUPAC name of 4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene (CID 143722040) is 4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene.
What is the SMILES notation for 4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene?
The canonical SMILES for 4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene is C=C(C)/C(C)=N/C(C)=C(C)/C=C\C=C/C.C=C(C)C.C=CCCC.CC.FC1(F)CCNCC1.
What is the InChIKey of 4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene?
The InChIKey is QAZYRYNYJUVVSY-OSLKJGBRSA-N. The full InChI is InChI=1S/C14H21N.C5H9F2N.C5H10.C4H8.C2H6/c1-7-8-9-10-12(4)14(6)15-13(5)11(2)3;6-5(7)1-3-8-4-2-5;1-3-5-4-2;1-4(2)3;1-2/h7-10H,2H2,1,3-6H3;8H,1-4H2;3H,1,4-5H2,2H3;1H2,2-3H3;1-2H3/b8-7-,10-9-,14-12+,15-13+;;;;.
What are the key properties of 4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene?
4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene has a molecular weight of 480.77 g/mol, XLogP of 10.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene is sourced from PubChem (CID 143722040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).