1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine

C19H28N6 — CID 176541292

IUPAC1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine
SMILES[H]/N=C(\N)NC(/C=C\C)=C/C1=C(C)C(=C/C=C(\C)N=C(N)N)/C(=C\C)C1
InChIInChI=1S/C19H28N6/c1-5-7-16(25-19(22)23)11-15-10-14(6-2)17(13(15)4)9-8-12(3)24-18(20)21/h5-9,11H,10H2,1-4H3,(H4,20,21,24)(H4,22,23,25)/b7-5-,12-8+,14-6-,16-11+,17-9-
InChIKeyCHYYNPKXGCOPSO-HXOWCTGESA-N
MW340.48 g/mol
LogP2.70
Rot. Bonds5

About 1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine

1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine (PubChem CID 176541292) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine.

Molecular Properties

Compound Name1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine
PubChem CID176541292
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine
SMILES[H]/N=C(\N)NC(/C=C\C)=C/C1=C(C)C(=C/C=C(\C)N=C(N)N)/C(=C\C)C1
InChIInChI=1S/C19H28N6/c1-5-7-16(25-19(22)23)11-15-10-14(6-2)17(13(15)4)9-8-12(3)24-18(20)21/h5-9,11H,10H2,1-4H3,(H4,20,21,24)(H4,22,23,25)/b7-5-,12-8+,14-6-,16-11+,17-9-
InChIKeyCHYYNPKXGCOPSO-HXOWCTGESA-N
XLogP2.70
TPSA126.30 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine?
The IUPAC name of 1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine (CID 176541292) is 1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine.
What is the SMILES notation for 1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine?
The canonical SMILES for 1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine is [H]/N=C(\N)NC(/C=C\C)=C/C1=C(C)C(=C/C=C(\C)N=C(N)N)/C(=C\C)C1.
What is the InChIKey of 1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine?
The InChIKey is CHYYNPKXGCOPSO-HXOWCTGESA-N. The full InChI is InChI=1S/C19H28N6/c1-5-7-16(25-19(22)23)11-15-10-14(6-2)17(13(15)4)9-8-12(3)24-18(20)21/h5-9,11H,10H2,1-4H3,(H4,20,21,24)(H4,22,23,25)/b7-5-,12-8+,14-6-,16-11+,17-9-.
What are the key properties of 1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine?
1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine has a molecular weight of 340.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3Z)-1-[(3E,4Z)-3-[(E)-3-(diaminomethylideneamino)but-2-enylidene]-4-ethylidene-2-methylcyclopenten-1-yl]penta-1,3-dien-2-yl]guanidine is sourced from PubChem (CID 176541292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).