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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N',N''-tris(propan-2-yl)guanidine
CID 547015
Guanidine, N,N'-bis(1-methylethyl)-
CID 198192
Guanidine, N,N'-bis(1-methylethyl)-, monohydrochloride
CID 198193
n,n'-Di(propan-2-yl)aziridine-1-carboximidamide
CID 285840
Guanidine, N-cyano-N',N''-bis(1-methylethyl)-
CID 2825087
2-[N,N'-di(propan-2-yl)carbamimidoyl]-1,1,3,3-tetramethylguanidine
CID 11128455
N,N'-di(propan-2-yl)pyrrolidine-1-carboximidamide
CID 14423431
1,1-Diethyl-2,3-di(propan-2-yl)guanidine
CID 15827441
2-[3-[Bis(propan-2-ylamino)methylideneamino]propyl]-1,3-di(propan-2-yl)guanidine
CID 20762627
1,1,2-Tri(propan-2-yl)guanidine
CID 22391788
[Dimethylamino(ethylamino)methylidene]-dimethylazanium
CID 45029433
1-Methyl-1-(2-methylpropyl)-2,3-di(propan-2-yl)guanidine
CID 101405084

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).