1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine

C11H21N3 — CID 118490254

IUPAC1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine
SMILESC/C=C/C=C/N=C(\N(C)C)N(C)CC
InChIInChI=1S/C11H21N3/c1-6-8-9-10-12-11(13(3)4)14(5)7-2/h6,8-10H,7H2,1-5H3/b8-6+,10-9+,12-11+
InChIKeyZISZBGVPNHUVNH-XDNOHYQPSA-N
MW195.31 g/mol
LogP1.95
Rot. Bonds3

About 1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine

1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine (PubChem CID 118490254) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine.

Molecular Properties

Compound Name1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine
PubChem CID118490254
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine
SMILESC/C=C/C=C/N=C(\N(C)C)N(C)CC
InChIInChI=1S/C11H21N3/c1-6-8-9-10-12-11(13(3)4)14(5)7-2/h6,8-10H,7H2,1-5H3/b8-6+,10-9+,12-11+
InChIKeyZISZBGVPNHUVNH-XDNOHYQPSA-N
XLogP1.95
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
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 1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine?
The IUPAC name of 1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine (CID 118490254) is 1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine.
What is the SMILES notation for 1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine?
The canonical SMILES for 1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine is C/C=C/C=C/N=C(\N(C)C)N(C)CC.
What is the InChIKey of 1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine?
The InChIKey is ZISZBGVPNHUVNH-XDNOHYQPSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-8-9-10-12-11(13(3)4)14(5)7-2/h6,8-10H,7H2,1-5H3/b8-6+,10-9+,12-11+.
What are the key properties of 1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine?
1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine has a molecular weight of 195.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3,3-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]guanidine is sourced from PubChem (CID 118490254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).