2-[(E)-3-methylpent-2-enyl]guanidine

C7H15N3 — CID 134858772

IUPAC2-[(E)-3-methylpent-2-enyl]guanidine
SMILESCC/C(C)=C/CN=C(N)N
InChIInChI=1S/C7H15N3/c1-3-6(2)4-5-10-7(8)9/h4H,3,5H2,1-2H3,(H4,8,9,10)/b6-4+
InChIKeyJZVJCKRBMWZVPJ-GQCTYLIASA-N
MW141.22 g/mol
LogP0.62
Rot. Bonds3

About 2-[(E)-3-methylpent-2-enyl]guanidine

2-[(E)-3-methylpent-2-enyl]guanidine (PubChem CID 134858772) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-[(E)-3-methylpent-2-enyl]guanidine.

Molecular Properties

Compound Name2-[(E)-3-methylpent-2-enyl]guanidine
PubChem CID134858772
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2-[(E)-3-methylpent-2-enyl]guanidine
SMILESCC/C(C)=C/CN=C(N)N
InChIInChI=1S/C7H15N3/c1-3-6(2)4-5-10-7(8)9/h4H,3,5H2,1-2H3,(H4,8,9,10)/b6-4+
InChIKeyJZVJCKRBMWZVPJ-GQCTYLIASA-N
XLogP0.62
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.62
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylpent-2-enyl]guanidine?
The IUPAC name of 2-[(E)-3-methylpent-2-enyl]guanidine (CID 134858772) is 2-[(E)-3-methylpent-2-enyl]guanidine.
What is the SMILES notation for 2-[(E)-3-methylpent-2-enyl]guanidine?
The canonical SMILES for 2-[(E)-3-methylpent-2-enyl]guanidine is CC/C(C)=C/CN=C(N)N.
What is the InChIKey of 2-[(E)-3-methylpent-2-enyl]guanidine?
The InChIKey is JZVJCKRBMWZVPJ-GQCTYLIASA-N. The full InChI is InChI=1S/C7H15N3/c1-3-6(2)4-5-10-7(8)9/h4H,3,5H2,1-2H3,(H4,8,9,10)/b6-4+.
What are the key properties of 2-[(E)-3-methylpent-2-enyl]guanidine?
2-[(E)-3-methylpent-2-enyl]guanidine has a molecular weight of 141.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylpent-2-enyl]guanidine is sourced from PubChem (CID 134858772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).