1,2,3-tri(propan-2-yl)guanidine

C10H23N3 — CID 547015

IUPAC1,2,3-tri(propan-2-yl)guanidine
SMILESCC(C)N=C(NC(C)C)NC(C)C
InChIInChI=1S/C10H23N3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3,(H2,11,12,13)
InChIKeyALOOBTJGUXDERE-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.75
Rot. Bonds3

About 1,2,3-tri(propan-2-yl)guanidine

1,2,3-tri(propan-2-yl)guanidine (PubChem CID 547015) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1,2,3-tri(propan-2-yl)guanidine.

Molecular Properties

Compound Name1,2,3-tri(propan-2-yl)guanidine
PubChem CID547015
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1,2,3-tri(propan-2-yl)guanidine
SMILESCC(C)N=C(NC(C)C)NC(C)C
InChIInChI=1S/C10H23N3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3,(H2,11,12,13)
InChIKeyALOOBTJGUXDERE-UHFFFAOYSA-N
XLogP1.75
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.75
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-tri(propan-2-yl)guanidine?
The IUPAC name of 1,2,3-tri(propan-2-yl)guanidine (CID 547015) is 1,2,3-tri(propan-2-yl)guanidine.
What is the SMILES notation for 1,2,3-tri(propan-2-yl)guanidine?
The canonical SMILES for 1,2,3-tri(propan-2-yl)guanidine is CC(C)N=C(NC(C)C)NC(C)C.
What is the InChIKey of 1,2,3-tri(propan-2-yl)guanidine?
The InChIKey is ALOOBTJGUXDERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3,(H2,11,12,13).
What are the key properties of 1,2,3-tri(propan-2-yl)guanidine?
1,2,3-tri(propan-2-yl)guanidine has a molecular weight of 185.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tri(propan-2-yl)guanidine is sourced from PubChem (CID 547015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).