ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane

C28H55N3 — CID 142354925

IUPACethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane
SMILESC/C=C(C(=C\C)/C1CCN(CC)CC1)\C(C)=N/CNC.C=C.CC.CC1CCCCC1
InChIInChI=1S/C17H31N3.C7H14.C2H6.C2H4/c1-6-16(14(4)19-13-18-5)17(7-2)15-9-11-20(8-3)12-10-15;1-7-5-3-2-4-6-7;2*1-2/h6-7,15,18H,8-13H2,1-5H3;7H,2-6H2,1H3;1-2H3;1-2H2/b16-6+,17-7-,19-14-;;;
InChIKeyJIUIZPLLSBLJLX-CWLMWFBQSA-N
MW433.77 g/mol
LogP7.66
Rot. Bonds6

About ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane

ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane (PubChem CID 142354925) has the molecular formula C28H55N3 and a molecular weight of 433.77 g/mol. Its IUPAC name is ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane.

Molecular Properties

Compound Nameethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane
PubChem CID142354925
Molecular FormulaC28H55N3
Molecular Weight433.77 g/mol
Exact Mass433.44
IUPAC Nameethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane
SMILESC/C=C(C(=C\C)/C1CCN(CC)CC1)\C(C)=N/CNC.C=C.CC.CC1CCCCC1
InChIInChI=1S/C17H31N3.C7H14.C2H6.C2H4/c1-6-16(14(4)19-13-18-5)17(7-2)15-9-11-20(8-3)12-10-15;1-7-5-3-2-4-6-7;2*1-2/h6-7,15,18H,8-13H2,1-5H3;7H,2-6H2,1H3;1-2H3;1-2H2/b16-6+,17-7-,19-14-;;;
InChIKeyJIUIZPLLSBLJLX-CWLMWFBQSA-N
XLogP7.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.77
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(6Z)-6-ethylidene-2-fluoro-N-methyl-4-[(2E,4E)-4-methyl-5-(4-piperidin-4-ylpentan-2-ylideneamino)hepta-2,4,6-trien-2-yl]cyclohexa-2,4-dien-1-imine
CID 153383279
(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
CID 123845307
N-[[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]methyl]-4-ethylcyclohexan-1-amine;ethane
CID 142230331
ethane;ethene;N-[[(Z)-[(Z,3Z)-4-[1-[(4Z)-3-ethylhexa-1,4-dien-2-yl]piperidin-4-yl]-3-ethylidenehex-4-en-2-ylidene]amino]methyl]butan-1-amine;methylcyclohexane
CID 142354964
(3E,5Z,8Z)-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-7-methyl-8-piperidin-4-yl-2,7-dihydro-1H-1,3-diazonine
CID 143396204
ethane;(E)-[(2E)-4-methylimino-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-(3-propylhexyl)piperidin-3-ylidene]methanamine;propylcyclohexane
CID 143875885
2-(4a,5,6,7,8,8a-hexahydro-1,8-naphthyridin-2-yl)ethanamine;(2Z,4Z)-3-methylhexa-2,4-diene
CID 144190313
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-[(2E,4E)-4-methyl-5-(4-piperidin-4-ylpentan-2-ylideneamino)hepta-2,4,6-trien-2-yl]cyclohexa-2,4-dien-1-imine;propane
CID 153383278
2-N-(3-iminobutan-2-yl)-3-(1-methylpiperidin-4-yl)cyclohexa-3,5-diene-1,2-diimine
CID 166993451
(6Z)-N,2-dimethyl-6-(2-piperidin-3-ylethylidene)cyclohexa-2,4-dien-1-imine
CID 169696726
N-methyl-1-[[2-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]-2-azabicyclo[4.2.0]oct-7-en-5-ylidene]amino]ethenamine
CID 174074343
(3E,4Z)-4-ethylidene-2-[1-(4-methylpentyl)piperidin-4-yl]-3-propylidenepyridine;4-methylpiperidine;2-methylpropane;prop-1-ene
CID 178017908

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane?
The IUPAC name of ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane (CID 142354925) is ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane.
What is the SMILES notation for ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane?
The canonical SMILES for ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane is C/C=C(C(=C\C)/C1CCN(CC)CC1)\C(C)=N/CNC.C=C.CC.CC1CCCCC1.
What is the InChIKey of ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane?
The InChIKey is JIUIZPLLSBLJLX-CWLMWFBQSA-N. The full InChI is InChI=1S/C17H31N3.C7H14.C2H6.C2H4/c1-6-16(14(4)19-13-18-5)17(7-2)15-9-11-20(8-3)12-10-15;1-7-5-3-2-4-6-7;2*1-2/h6-7,15,18H,8-13H2,1-5H3;7H,2-6H2,1H3;1-2H3;1-2H2/b16-6+,17-7-,19-14-;;;.
What are the key properties of ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane?
ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane has a molecular weight of 433.77 g/mol, XLogP of 7.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1-[(Z)-[(Z,3Z)-3-ethylidene-4-(1-ethylpiperidin-4-yl)hex-4-en-2-ylidene]amino]-N-methylmethanamine;methylcyclohexane is sourced from PubChem (CID 142354925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).