1,1-diethyl-2,3-di(propan-2-yl)guanidine

C11H25N3 — CID 15827441

IUPAC1,1-diethyl-2,3-di(propan-2-yl)guanidine
SMILESCCN(CC)/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C11H25N3/c1-7-14(8-2)11(12-9(3)4)13-10(5)6/h9-10H,7-8H2,1-6H3,(H,12,13)
InChIKeyZQCFVFPSDHXOPL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.09
Rot. Bonds4

About 1,1-diethyl-2,3-di(propan-2-yl)guanidine

1,1-diethyl-2,3-di(propan-2-yl)guanidine (PubChem CID 15827441) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1,1-diethyl-2,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name1,1-diethyl-2,3-di(propan-2-yl)guanidine
PubChem CID15827441
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1,1-diethyl-2,3-di(propan-2-yl)guanidine
SMILESCCN(CC)/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C11H25N3/c1-7-14(8-2)11(12-9(3)4)13-10(5)6/h9-10H,7-8H2,1-6H3,(H,12,13)
InChIKeyZQCFVFPSDHXOPL-UHFFFAOYSA-N
XLogP2.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.09
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2,3-di(propan-2-yl)guanidine?
The IUPAC name of 1,1-diethyl-2,3-di(propan-2-yl)guanidine (CID 15827441) is 1,1-diethyl-2,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 1,1-diethyl-2,3-di(propan-2-yl)guanidine?
The canonical SMILES for 1,1-diethyl-2,3-di(propan-2-yl)guanidine is CCN(CC)/C(=N\C(C)C)NC(C)C.
What is the InChIKey of 1,1-diethyl-2,3-di(propan-2-yl)guanidine?
The InChIKey is ZQCFVFPSDHXOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-7-14(8-2)11(12-9(3)4)13-10(5)6/h9-10H,7-8H2,1-6H3,(H,12,13).
What are the key properties of 1,1-diethyl-2,3-di(propan-2-yl)guanidine?
1,1-diethyl-2,3-di(propan-2-yl)guanidine has a molecular weight of 199.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 15827441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).