1,2,3-tris(2-methylprop-1-enyl)guanidine

C13H23N3 — CID 58030695

IUPAC1,2,3-tris(2-methylprop-1-enyl)guanidine
SMILESCC(C)=CN=C(NC=C(C)C)NC=C(C)C
InChIInChI=1S/C13H23N3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h7-9H,1-6H3,(H2,14,15,16)
InChIKeyXESGMIZMMFEMPW-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.29
Rot. Bonds3

About 1,2,3-tris(2-methylprop-1-enyl)guanidine

1,2,3-tris(2-methylprop-1-enyl)guanidine (PubChem CID 58030695) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1,2,3-tris(2-methylprop-1-enyl)guanidine.

Molecular Properties

Compound Name1,2,3-tris(2-methylprop-1-enyl)guanidine
PubChem CID58030695
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1,2,3-tris(2-methylprop-1-enyl)guanidine
SMILESCC(C)=CN=C(NC=C(C)C)NC=C(C)C
InChIInChI=1S/C13H23N3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h7-9H,1-6H3,(H2,14,15,16)
InChIKeyXESGMIZMMFEMPW-UHFFFAOYSA-N
XLogP3.29
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.29
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(2-methylprop-1-enyl)guanidine?
The IUPAC name of 1,2,3-tris(2-methylprop-1-enyl)guanidine (CID 58030695) is 1,2,3-tris(2-methylprop-1-enyl)guanidine.
What is the SMILES notation for 1,2,3-tris(2-methylprop-1-enyl)guanidine?
The canonical SMILES for 1,2,3-tris(2-methylprop-1-enyl)guanidine is CC(C)=CN=C(NC=C(C)C)NC=C(C)C.
What is the InChIKey of 1,2,3-tris(2-methylprop-1-enyl)guanidine?
The InChIKey is XESGMIZMMFEMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h7-9H,1-6H3,(H2,14,15,16).
What are the key properties of 1,2,3-tris(2-methylprop-1-enyl)guanidine?
1,2,3-tris(2-methylprop-1-enyl)guanidine has a molecular weight of 221.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(2-methylprop-1-enyl)guanidine is sourced from PubChem (CID 58030695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).