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

C9H21N3 — CID 11386629

IUPAC1,1-dimethyl-2,3-di(propan-2-yl)guanidine
SMILESCC(C)/N=C(/NC(C)C)N(C)C
InChIInChI=1S/C9H21N3/c1-7(2)10-9(12(5)6)11-8(3)4/h7-8H,1-6H3,(H,10,11)
InChIKeyDBKBLEIGTQXUMY-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.31
Rot. Bonds2

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

1,1-dimethyl-2,3-di(propan-2-yl)guanidine (PubChem CID 11386629) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1,1-dimethyl-2,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2,3-di(propan-2-yl)guanidine
PubChem CID11386629
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1,1-dimethyl-2,3-di(propan-2-yl)guanidine
SMILESCC(C)/N=C(/NC(C)C)N(C)C
InChIInChI=1S/C9H21N3/c1-7(2)10-9(12(5)6)11-8(3)4/h7-8H,1-6H3,(H,10,11)
InChIKeyDBKBLEIGTQXUMY-UHFFFAOYSA-N
XLogP1.31
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.31
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-dimethyl-2,3-di(propan-2-yl)guanidine?
The IUPAC name of 1,1-dimethyl-2,3-di(propan-2-yl)guanidine (CID 11386629) is 1,1-dimethyl-2,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 1,1-dimethyl-2,3-di(propan-2-yl)guanidine?
The canonical SMILES for 1,1-dimethyl-2,3-di(propan-2-yl)guanidine is CC(C)/N=C(/NC(C)C)N(C)C.
What is the InChIKey of 1,1-dimethyl-2,3-di(propan-2-yl)guanidine?
The InChIKey is DBKBLEIGTQXUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-7(2)10-9(12(5)6)11-8(3)4/h7-8H,1-6H3,(H,10,11).
What are the key properties of 1,1-dimethyl-2,3-di(propan-2-yl)guanidine?
1,1-dimethyl-2,3-di(propan-2-yl)guanidine has a molecular weight of 171.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 11386629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).