ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine

C19H36N4 — CID 171800066

IUPACethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine
SMILESC/C=C1\C(N)=NC=C(/C=C/CCC)N1C.C=C.CC[C@@H](C)NC
InChIInChI=1S/C12H19N3.C5H13N.C2H4/c1-4-6-7-8-10-9-14-12(13)11(5-2)15(10)3;1-4-5(2)6-3;1-2/h5,7-9H,4,6H2,1-3H3,(H2,13,14);5-6H,4H2,1-3H3;1-2H2/b8-7+,11-5+;;/t;5-;/m.1./s1
InChIKeyGRQWDNWDFDDRQL-WQEAOAPXSA-N
MW320.53 g/mol
LogP4.20
Rot. Bonds5

About ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine

ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine (PubChem CID 171800066) has the molecular formula C19H36N4 and a molecular weight of 320.53 g/mol. Its IUPAC name is ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine.

Molecular Properties

Compound Nameethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine
PubChem CID171800066
Molecular FormulaC19H36N4
Molecular Weight320.53 g/mol
Exact Mass320.29
IUPAC Nameethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine
SMILESC/C=C1\C(N)=NC=C(/C=C/CCC)N1C.C=C.CC[C@@H](C)NC
InChIInChI=1S/C12H19N3.C5H13N.C2H4/c1-4-6-7-8-10-9-14-12(13)11(5-2)15(10)3;1-4-5(2)6-3;1-2/h5,7-9H,4,6H2,1-3H3,(H2,13,14);5-6H,4H2,1-3H3;1-2H2/b8-7+,11-5+;;/t;5-;/m.1./s1
InChIKeyGRQWDNWDFDDRQL-WQEAOAPXSA-N
XLogP4.20
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(3E,4Z)-6-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-4-(aminomethylidene)-3-prop-2-enylidene-2-pyridinyl]-2-methylpropane-1,2-diamine
CID 89231364
N'-[(E,3Z)-1-amino-3-(6-aminocyclohexa-2,4-dien-1-ylidene)but-1-en-2-yl]-2-(methylamino)ethanimidamide
CID 138461714
N-[[(4Z)-5-(cyclohexa-1,5-dien-1-ylmethylimino)-4-[1-(methylideneamino)ethylidene]-1H-pyrrol-2-yl]methyl]-N-propylpropan-1-amine;ethane
CID 142154822
2-[[[(Z)-prop-1-enyl]amino]methyl]-2,3-dihydropyridine-5,6-diamine
CID 155177135
N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine
CID 155441895
2-(8,8a-dihydroquinolin-6-ylmethylamino)-N'-[(E)-2-[[(2E,4E)-hexa-2,4-dien-2-yl]amino]prop-1-enyl]prop-2-enimidamide
CID 156182389
N-[(E)-2-amino-3-[[(1Z)-2-methylbuta-1,3-dienyl]-[(Z)-2-methylidenepent-3-enyl]amino]prop-1-enyl]-N'-but-3-enylethanimidamide
CID 156421168
2-[4-aminobutyl-[2-(5-methyl-1,2-dihydropyridin-6-yl)ethyl]amino]-N-ethenyl-N,N'-dimethylethanimidamide
CID 156421198
(3Z)-3-[amino-[5-[1-[[(3Z,5Z)-4-ethylhepta-1,3,5-trien-2-yl]amino]ethenyl]cyclohepta-1,4,6-trien-1-yl]methylidene]-4-[3-[ethyl-[(3E)-hepta-1,3-dien-2-yl]amino]hexan-2-yl]pyrazin-2-amine
CID 166775315
6-[2-(methylamino)ethyl]-7-(1-prop-2-enyl-4H-pyridin-3-yl)-2,3-dihydro-1H-1,4-diazepine-3,5-diamine
CID 167266324
(3E)-N-[(Z)-but-2-enyl]-4-methyl-3-[1-[(2S)-2-methylpiperazin-1-yl]ethylidene]-1H-pyrrol-2-imine;ethane;molecular hydrogen
CID 168184334
(E,1E)-1-[(4E)-5-[(E)-but-1-enyl]imino-4-[1-(3-methylpiperazin-1-yl)ethylidene]pyrrol-3-ylidene]-2,3-dimethyl-N-[(Z)-prop-1-enyl]pent-2-en-1-amine
CID 168186617

Frequently Asked Questions

What is the IUPAC name of ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine?
The IUPAC name of ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine (CID 171800066) is ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine.
What is the SMILES notation for ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine?
The canonical SMILES for ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine is C/C=C1\C(N)=NC=C(/C=C/CCC)N1C.C=C.CC[C@@H](C)NC.
What is the InChIKey of ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine?
The InChIKey is GRQWDNWDFDDRQL-WQEAOAPXSA-N. The full InChI is InChI=1S/C12H19N3.C5H13N.C2H4/c1-4-6-7-8-10-9-14-12(13)11(5-2)15(10)3;1-4-5(2)6-3;1-2/h5,7-9H,4,6H2,1-3H3,(H2,13,14);5-6H,4H2,1-3H3;1-2H2/b8-7+,11-5+;;/t;5-;/m.1./s1.
What are the key properties of ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine?
ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine has a molecular weight of 320.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3E)-3-ethylidene-4-methyl-5-[(E)-pent-1-enyl]pyrazin-2-amine;(2R)-N-methylbutan-2-amine is sourced from PubChem (CID 171800066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).