ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane

C20H32N2 — CID 143756625

IUPACethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane
SMILESC=CC(=C\C)/C(=C/C)N1C=CN=C(C)C1=C.CC.CC1CC1
InChIInChI=1S/C14H18N2.C4H8.C2H6/c1-6-13(7-2)14(8-3)16-10-9-15-11(4)12(16)5;1-4-2-3-4;1-2/h6-10H,1,5H2,2-4H3;4H,2-3H2,1H3;1-2H3/b13-7+,14-8-;;
InChIKeyPXEMSJGJANUHTD-POJLMYNOSA-N
MW300.49 g/mol
LogP6.23
Rot. Bonds3

About ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane

ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane (PubChem CID 143756625) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane.

Molecular Properties

Compound Nameethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane
PubChem CID143756625
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Nameethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane
SMILESC=CC(=C\C)/C(=C/C)N1C=CN=C(C)C1=C.CC.CC1CC1
InChIInChI=1S/C14H18N2.C4H8.C2H6/c1-6-13(7-2)14(8-3)16-10-9-15-11(4)12(16)5;1-4-2-3-4;1-2/h6-10H,1,5H2,2-4H3;4H,2-3H2,1H3;1-2H3/b13-7+,14-8-;;
InChIKeyPXEMSJGJANUHTD-POJLMYNOSA-N
XLogP6.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane with MolForge

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Related Compounds

2-methyl-5-[(2-methylidene-3H-pyrrol-1-yl)methyl]-3H-pyridin-3-ide;yttrium
CID 60014965
N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine
CID 90937480
4-[(1Z,3Z)-1-[[(Z)-but-2-enylidene]amino]penta-1,3-dien-2-yl]-N-[(E)-hex-3-en-3-yl]-N-[(E)-pent-1-enyl]cyclohexa-1,5-dien-1-amine
CID 124112768
(E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
CID 126636351
(2Z,4Z)-N-(2-ethenylimino-4-methylpent-3-enyl)-N-methyl-4-propan-2-ylhepta-2,4,6-trien-2-amine
CID 132019500
(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
[4-[(E)-5-(diethylamino)-2-ethenylpent-4-enylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
CID 143968524
(2Z,4E)-5-[1-(cyclopropylmethyl)-3-prop-1-en-2-yl-2H-pyridin-6-yl]-N-methylhexa-2,4-dien-1-imine;ethane
CID 145358442
(Z)-8-ethenylimino-N-[(2E)-2-ethylidene-3-methylidenepentyl]-N-[(3E)-5-methylhexa-1,3-dien-3-yl]non-6-en-2-amine
CID 156487774
ethane;3-methyl-6,7-dihydroquinoline;N-methyl-N-[(3Z)-3-methyl-4-(propan-2-ylideneamino)penta-1,3-dien-2-yl]cyclopropanamine;prop-1-ene
CID 157040465
(Z)-4-methyl-3-(2-methylidene-4-propan-2-yl-1-pyridinyl)-N-[(Z)-prop-1-enyl]hex-3-en-2-imine
CID 166146624
(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

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane?
The IUPAC name of ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane (CID 143756625) is ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane.
What is the SMILES notation for ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane?
The canonical SMILES for ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane is C=CC(=C\C)/C(=C/C)N1C=CN=C(C)C1=C.CC.CC1CC1.
What is the InChIKey of ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane?
The InChIKey is PXEMSJGJANUHTD-POJLMYNOSA-N. The full InChI is InChI=1S/C14H18N2.C4H8.C2H6/c1-6-13(7-2)14(8-3)16-10-9-15-11(4)12(16)5;1-4-2-3-4;1-2/h6-10H,1,5H2,2-4H3;4H,2-3H2,1H3;1-2H3/b13-7+,14-8-;;.
What are the key properties of ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane?
ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane has a molecular weight of 300.49 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine;methylcyclopropane is sourced from PubChem (CID 143756625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).