ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene

C40H68N2 — CID 145161789

IUPACethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene
SMILESC=C(C)C.C=C/C(=C\C(C)=C(C)C)CCCN.C=c1cc(CC)c(C(=C/C)/C=N/C)c/c1=C(C)/C(C)=C\C.CC.CC
InChIInChI=1S/C20H27N.C12H21N.C4H8.2C2H6/c1-8-14(4)16(6)19-12-20(18(10-3)13-21-7)17(9-2)11-15(19)5;1-5-12(7-6-8-13)9-11(4)10(2)3;1-4(2)3;2*1-2/h8,10-13H,5,9H2,1-4,6-7H3;5,9H,1,6-8,13H2,2-4H3;1H2,2-3H3;2*1-2H3/b14-8-,18-10+,19-16-,21-13+;12-9+;;;
InChIKeyMHRZZHUYEUSIAV-APOJSFEBSA-N
MW577.00 g/mol
LogP10.73
Rot. Bonds9

About ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene

ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene (PubChem CID 145161789) has the molecular formula C40H68N2 and a molecular weight of 577.00 g/mol. Its IUPAC name is ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene.

Molecular Properties

Compound Nameethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene
PubChem CID145161789
Molecular FormulaC40H68N2
Molecular Weight577.00 g/mol
Exact Mass576.54
IUPAC Nameethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene
SMILESC=C(C)C.C=C/C(=C\C(C)=C(C)C)CCCN.C=c1cc(CC)c(C(=C/C)/C=N/C)c/c1=C(C)/C(C)=C\C.CC.CC
InChIInChI=1S/C20H27N.C12H21N.C4H8.2C2H6/c1-8-14(4)16(6)19-12-20(18(10-3)13-21-7)17(9-2)11-15(19)5;1-5-12(7-6-8-13)9-11(4)10(2)3;1-4(2)3;2*1-2/h8,10-13H,5,9H2,1-4,6-7H3;5,9H,1,6-8,13H2,2-4H3;1H2,2-3H3;2*1-2H3/b14-8-,18-10+,19-16-,21-13+;12-9+;;;
InChIKeyMHRZZHUYEUSIAV-APOJSFEBSA-N
XLogP10.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.00
LogP ≤ 510.73
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 ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene with MolForge

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Related Compounds

N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine
CID 123736016
1-[(4Z)-4-hexa-2,4-dienylidene-2,3-dihydropyrrol-2-yl]ethanamine
CID 123865726
(Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine
CID 134485431
ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine
CID 143221976
N,2-dimethylprop-2-en-1-imine;(Z)-3-methyloct-5-en-1-amine;propane
CID 163243171
(Z)-4-ethenyl-6-methyliminohex-4-en-1-amine
CID 170631458
(9Z,11E)-9-(methyliminomethyl)tetradeca-9,11-dien-1-amine
CID 172240218

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene?
The IUPAC name of ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene (CID 145161789) is ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene.
What is the SMILES notation for ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene?
The canonical SMILES for ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene is C=C(C)C.C=C/C(=C\C(C)=C(C)C)CCCN.C=c1cc(CC)c(C(=C/C)/C=N/C)c/c1=C(C)/C(C)=C\C.CC.CC.
What is the InChIKey of ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene?
The InChIKey is MHRZZHUYEUSIAV-APOJSFEBSA-N. The full InChI is InChI=1S/C20H27N.C12H21N.C4H8.2C2H6/c1-8-14(4)16(6)19-12-20(18(10-3)13-21-7)17(9-2)11-15(19)5;1-5-12(7-6-8-13)9-11(4)10(2)3;1-4(2)3;2*1-2/h8,10-13H,5,9H2,1-4,6-7H3;5,9H,1,6-8,13H2,2-4H3;1H2,2-3H3;2*1-2H3/b14-8-,18-10+,19-16-,21-13+;12-9+;;;.
What are the key properties of ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene?
ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene has a molecular weight of 577.00 g/mol, XLogP of 10.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-4-ethenyl-6,7-dimethylocta-4,6-dien-1-amine;(Z)-2-[(3Z)-6-ethyl-4-methylidene-3-[(Z)-3-methylpent-3-en-2-ylidene]cyclohexa-1,5-dien-1-yl]-N-methylbut-2-en-1-imine;2-methylprop-1-ene is sourced from PubChem (CID 145161789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).