ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine

C14H22N4 — CID 142225176

IUPACethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine
SMILESC=C/C=c1/nc(N=C(N)N)cc(C)/c1=C/C.CC
InChIInChI=1S/C12H16N4.C2H6/c1-4-6-10-9(5-2)8(3)7-11(15-10)16-12(13)14;1-2/h4-7H,1H2,2-3H3,(H4,13,14,15,16);1-2H3/b9-5-,10-6+;
InChIKeyGGYSLFZBTKHUCJ-KSTRYXAPSA-N
MW246.36 g/mol
LogP1.09
Rot. Bonds2

About ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine

ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine (PubChem CID 142225176) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine.

Molecular Properties

Compound Nameethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine
PubChem CID142225176
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Nameethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine
SMILESC=C/C=c1/nc(N=C(N)N)cc(C)/c1=C/C.CC
InChIInChI=1S/C12H16N4.C2H6/c1-4-6-10-9(5-2)8(3)7-11(15-10)16-12(13)14;1-2/h4-7H,1H2,2-3H3,(H4,13,14,15,16);1-2H3/b9-5-,10-6+;
InChIKeyGGYSLFZBTKHUCJ-KSTRYXAPSA-N
XLogP1.09
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-cyclohexa-1,3-dien-1-ylethanimidamide
CID 68215787
5-(4-Ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine
CID 123864881
(2E,5Z,6Z)-2-amino-3-ethenyl-5-ethylidene-N'-methylocta-2,6-dienimidamide
CID 126676681
(7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine
CID 129058386
4-ethenyl-7-[(1E,3Z)-2-(4-ethenylcyclohexa-1,5-dien-1-yl)penta-1,3-dienyl]-3H-azepin-2-amine
CID 129058528
3-Ethenyl-6,7-dihydroquinolin-2-amine
CID 130421228
(5Z,6E)-5,6-di(ethylidene)pyridin-2-amine
CID 130466666
N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide
CID 130472311
N'-[(3Z,5E,6Z)-5-ethylidenenona-1,3,6,8-tetraen-4-yl]prop-2-enimidamide
CID 134444275
(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridin-2-amine
CID 134444287
N'-[(3Z,5E,6Z)-5-ethylideneocta-1,3,6-trien-4-yl]prop-2-enimidamide
CID 134444323
N'-[(2Z)-3-methyl-4-methylideneocta-2,5-dien-2-yl]ethanimidamide
CID 138473649

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine?
The IUPAC name of ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine (CID 142225176) is ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine.
What is the SMILES notation for ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine?
The canonical SMILES for ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine is C=C/C=c1/nc(N=C(N)N)cc(C)/c1=C/C.CC.
What is the InChIKey of ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine?
The InChIKey is GGYSLFZBTKHUCJ-KSTRYXAPSA-N. The full InChI is InChI=1S/C12H16N4.C2H6/c1-4-6-10-9(5-2)8(3)7-11(15-10)16-12(13)14;1-2/h4-7H,1H2,2-3H3,(H4,13,14,15,16);1-2H3/b9-5-,10-6+;.
What are the key properties of ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine?
ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine has a molecular weight of 246.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(5Z,6E)-5-ethylidene-4-methyl-6-prop-2-enylidene-2-pyridinyl]guanidine is sourced from PubChem (CID 142225176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).