1,1,2-tris(prop-2-enyl)guanidine

C10H17N3 — CID 87837429

IUPAC1,1,2-tris(prop-2-enyl)guanidine
SMILESC=CC/N=C(\N)N(CC=C)CC=C
InChIInChI=1S/C10H17N3/c1-4-7-12-10(11)13(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H2,11,12)
InChIKeyFVTLRJMNJWWXAD-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.16
Rot. Bonds6

About 1,1,2-tris(prop-2-enyl)guanidine

1,1,2-tris(prop-2-enyl)guanidine (PubChem CID 87837429) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1,1,2-tris(prop-2-enyl)guanidine.

Molecular Properties

Compound Name1,1,2-tris(prop-2-enyl)guanidine
PubChem CID87837429
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1,1,2-tris(prop-2-enyl)guanidine
SMILESC=CC/N=C(\N)N(CC=C)CC=C
InChIInChI=1S/C10H17N3/c1-4-7-12-10(11)13(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H2,11,12)
InChIKeyFVTLRJMNJWWXAD-UHFFFAOYSA-N
XLogP1.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
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 1,1,2-tris(prop-2-enyl)guanidine?
The IUPAC name of 1,1,2-tris(prop-2-enyl)guanidine (CID 87837429) is 1,1,2-tris(prop-2-enyl)guanidine.
What is the SMILES notation for 1,1,2-tris(prop-2-enyl)guanidine?
The canonical SMILES for 1,1,2-tris(prop-2-enyl)guanidine is C=CC/N=C(\N)N(CC=C)CC=C.
What is the InChIKey of 1,1,2-tris(prop-2-enyl)guanidine?
The InChIKey is FVTLRJMNJWWXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-7-12-10(11)13(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H2,11,12).
What are the key properties of 1,1,2-tris(prop-2-enyl)guanidine?
1,1,2-tris(prop-2-enyl)guanidine has a molecular weight of 179.27 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(prop-2-enyl)guanidine is sourced from PubChem (CID 87837429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).