2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine

C11H19N3 — CID 88880587

IUPAC2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine
SMILESC=C/C(=C\C=C/C)[C@@H](C)CN=C(N)N
InChIInChI=1S/C11H19N3/c1-4-6-7-10(5-2)9(3)8-14-11(12)13/h4-7,9H,2,8H2,1,3H3,(H4,12,13,14)/b6-4-,10-7+/t9-/m0/s1
InChIKeyHHBSOGONEMMIPL-PWRSMJIISA-N
MW193.29 g/mol
LogP1.58
Rot. Bonds5

About 2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine

2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine (PubChem CID 88880587) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine.

Molecular Properties

Compound Name2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine
PubChem CID88880587
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine
SMILESC=C/C(=C\C=C/C)[C@@H](C)CN=C(N)N
InChIInChI=1S/C11H19N3/c1-4-6-7-10(5-2)9(3)8-14-11(12)13/h4-7,9H,2,8H2,1,3H3,(H4,12,13,14)/b6-4-,10-7+/t9-/m0/s1
InChIKeyHHBSOGONEMMIPL-PWRSMJIISA-N
XLogP1.58
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.58
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-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine?
The IUPAC name of 2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine (CID 88880587) is 2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine.
What is the SMILES notation for 2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine?
The canonical SMILES for 2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine is C=C/C(=C\C=C/C)[C@@H](C)CN=C(N)N.
What is the InChIKey of 2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine?
The InChIKey is HHBSOGONEMMIPL-PWRSMJIISA-N. The full InChI is InChI=1S/C11H19N3/c1-4-6-7-10(5-2)9(3)8-14-11(12)13/h4-7,9H,2,8H2,1,3H3,(H4,12,13,14)/b6-4-,10-7+/t9-/m0/s1.
What are the key properties of 2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine?
2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine has a molecular weight of 193.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dienyl]guanidine is sourced from PubChem (CID 88880587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).