(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine

C40H67N5 — CID 143342840

IUPAC(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine
SMILESC.C=C.C=C/C(C)=C(C)\C=C(/C)CNC.C=CC(/C=C(/C)N(C)C)=N\C=C\N=C.C=CNCC1C=CC(CC(=C)CC)=C(C)C1
InChIInChI=1S/C15H23N.C11H17N3.C11H19N.C2H4.CH4/c1-5-12(3)9-15-8-7-14(10-13(15)4)11-16-6-2;1-6-11(13-8-7-12-3)9-10(2)14(4)5;1-6-10(3)11(4)7-9(2)8-12-5;1-2;/h6-8,14,16H,2-3,5,9-11H2,1,4H3;6-9H,1,3H2,2,4-5H3;6-7,12H,1,8H2,2-5H3;1-2H2;1H4/b;8-7+,10-9-,13-11+;9-7+,11-10-;;
InChIKeyZPEGSEWVUNPCQM-IOWQYNGQSA-N
MW618.01 g/mol
LogP10.33
Rot. Bonds15

About (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine

(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine (PubChem CID 143342840) has the molecular formula C40H67N5 and a molecular weight of 618.01 g/mol. Its IUPAC name is (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine
PubChem CID143342840
Molecular FormulaC40H67N5
Molecular Weight618.01 g/mol
Exact Mass617.54
IUPAC Name(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine
SMILESC.C=C.C=C/C(C)=C(C)\C=C(/C)CNC.C=CC(/C=C(/C)N(C)C)=N\C=C\N=C.C=CNCC1C=CC(CC(=C)CC)=C(C)C1
InChIInChI=1S/C15H23N.C11H17N3.C11H19N.C2H4.CH4/c1-5-12(3)9-15-8-7-14(10-13(15)4)11-16-6-2;1-6-11(13-8-7-12-3)9-10(2)14(4)5;1-6-10(3)11(4)7-9(2)8-12-5;1-2;/h6-8,14,16H,2-3,5,9-11H2,1,4H3;6-9H,1,3H2,2,4-5H3;6-7,12H,1,8H2,2-5H3;1-2H2;1H4/b;8-7+,10-9-,13-11+;9-7+,11-10-;;
InChIKeyZPEGSEWVUNPCQM-IOWQYNGQSA-N
XLogP10.33
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.01
LogP ≤ 510.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine with MolForge

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Related Compounds

N'-[7-(6-aminohexylimino)-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl]hexane-1,6-diamine
CID 101917799
(3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine
CID 134188582
2-(aminomethyl)-6-[(1E,3E)-1-(1,2-dihydropyridin-4-yl)hexa-1,3,5-trien-3-yl]-N-[(5Z,7E,9E)-11-methyliminoundeca-5,7,9-trien-4-yl]-1,2,5,6-tetrahydronaphthalen-1-amine
CID 134534328
acetylene;N-[1-(dimethylamino)-3-[[(9E)-10-methyl-2-methylidene-3,4,5,8-tetrahydro-1H-cycloocta[b]pyridin-9-yl]methylamino]but-3-en-2-ylidene]-N'-methylmethanimidamide;ethane;(2E,3Z)-N-ethenyl-2-ethylidene-6-methyl-5-methylidenehepta-3,6-dien-1-amine
CID 143344610
(Z,6E)-6-but-3-en-2-ylidene-N-[1-[(2E)-1-ethyl-2-(methylaminomethylidene)-6-prop-1-en-2-ylpyrimidin-4-yl]ethenyl]-9,9-dimethyl-7-methylidenedec-4-en-2-amine;methanamine;propane
CID 143344958
ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine
CID 143345098
(3Z)-4-N-[(E)-2-aminobut-1-enyl]-4-N-methyl-6-methylimino-7-N-(2-methylpropyl)octa-3,7-diene-2,4,7-triamine;butane;(3E)-N,4-dimethyl-N-prop-1-en-2-ylhexa-1,3-dien-3-amine;ethane;2-methylpentane
CID 143345758
prop-1-en-2-amine;(3Z,5E)-5,9,9-trimethyl-7-methylidene-N-[(3E)-3-[(E)-2-(methylideneamino)-1-[methyl(2-methylprop-2-enyl)amino]ethenyl]iminopenta-1,4-dien-2-yl]-3-[(Z)-prop-1-enyl]deca-3,5-dien-1-amine
CID 143346546
2-[4-(5-aminopentan-2-yl)cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-yl-N,N-dimethyl-2H-pyrrol-4-amine
CID 156316101
CID 159010593
CID 159010593
N-(cyclohex-2-en-1-ylmethyl)-3-(2-methylhex-1-en-3-ylimino)but-1-en-2-amine
CID 166712152
ethane;(2E,4Z)-N-[[5-ethyl-4-methyl-3-[(Z)-prop-1-enyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-methylhepta-2,4,6-trien-3-amine;molecular hydrogen;propane
CID 168936828

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine (CID 143342840) is (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine is C.C=C.C=C/C(C)=C(C)\C=C(/C)CNC.C=CC(/C=C(/C)N(C)C)=N\C=C\N=C.C=CNCC1C=CC(CC(=C)CC)=C(C)C1.
What is the InChIKey of (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine?
The InChIKey is ZPEGSEWVUNPCQM-IOWQYNGQSA-N. The full InChI is InChI=1S/C15H23N.C11H17N3.C11H19N.C2H4.CH4/c1-5-12(3)9-15-8-7-14(10-13(15)4)11-16-6-2;1-6-11(13-8-7-12-3)9-10(2)14(4)5;1-6-10(3)11(4)7-9(2)8-12-5;1-2;/h6-8,14,16H,2-3,5,9-11H2,1,4H3;6-9H,1,3H2,2,4-5H3;6-7,12H,1,8H2,2-5H3;1-2H2;1H4/b;8-7+,10-9-,13-11+;9-7+,11-10-;;.
What are the key properties of (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine?
(2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine has a molecular weight of 618.01 g/mol, XLogP of 10.33, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-dimethyl-4-[(E)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-2-amine;ethene;methane;N-[[5-methyl-4-(2-methylidenebutyl)cyclohexa-2,4-dien-1-yl]methyl]ethenamine;(2E,4Z)-N,2,4,5-tetramethylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 143342840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).