2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine

C9H15N3 — CID 118403159

IUPAC2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine
SMILESC=C/C=C\C(=C/C)CN=C(N)N
InChIInChI=1S/C9H15N3/c1-3-5-6-8(4-2)7-12-9(10)11/h3-6H,1,7H2,2H3,(H4,10,11,12)/b6-5-,8-4+
InChIKeyHCSKGCJBQBAJLK-QNMAEOQASA-N
MW165.24 g/mol
LogP0.95
Rot. Bonds4

About 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine

2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine (PubChem CID 118403159) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine.

Molecular Properties

Compound Name2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine
PubChem CID118403159
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine
SMILESC=C/C=C\C(=C/C)CN=C(N)N
InChIInChI=1S/C9H15N3/c1-3-5-6-8(4-2)7-12-9(10)11/h3-6H,1,7H2,2H3,(H4,10,11,12)/b6-5-,8-4+
InChIKeyHCSKGCJBQBAJLK-QNMAEOQASA-N
XLogP0.95
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine?
The IUPAC name of 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine (CID 118403159) is 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine.
What is the SMILES notation for 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine?
The canonical SMILES for 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine is C=C/C=C\C(=C/C)CN=C(N)N.
What is the InChIKey of 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine?
The InChIKey is HCSKGCJBQBAJLK-QNMAEOQASA-N. The full InChI is InChI=1S/C9H15N3/c1-3-5-6-8(4-2)7-12-9(10)11/h3-6H,1,7H2,2H3,(H4,10,11,12)/b6-5-,8-4+.
What are the key properties of 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine?
2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine has a molecular weight of 165.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]guanidine is sourced from PubChem (CID 118403159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).