1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine

C7H17N5 — CID 21027223

IUPAC1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine
SMILESCC(C)/N=C(N)/N=C(/N)N(C)C
InChIInChI=1S/C7H17N5/c1-5(2)10-6(8)11-7(9)12(3)4/h5H,1-4H3,(H4,8,9,10,11)
InChIKeyVIOSIKUANQXQAZ-UHFFFAOYSA-N
MW171.25 g/mol
LogP-0.41
Rot. Bonds1

About 1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine

1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine (PubChem CID 21027223) has the molecular formula C7H17N5 and a molecular weight of 171.25 g/mol. Its IUPAC name is 1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine
PubChem CID21027223
Molecular FormulaC7H17N5
Molecular Weight171.25 g/mol
Exact Mass171.15
IUPAC Name1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine
SMILESCC(C)/N=C(N)/N=C(/N)N(C)C
InChIInChI=1S/C7H17N5/c1-5(2)10-6(8)11-7(9)12(3)4/h5H,1-4H3,(H4,8,9,10,11)
InChIKeyVIOSIKUANQXQAZ-UHFFFAOYSA-N
XLogP-0.41
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 5-0.41
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'}

Analyze 1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine?
The IUPAC name of 1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine (CID 21027223) is 1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine.
What is the SMILES notation for 1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine?
The canonical SMILES for 1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine is CC(C)/N=C(N)/N=C(/N)N(C)C.
What is the InChIKey of 1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine?
The InChIKey is VIOSIKUANQXQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5/c1-5(2)10-6(8)11-7(9)12(3)4/h5H,1-4H3,(H4,8,9,10,11).
What are the key properties of 1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine?
1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine has a molecular weight of 171.25 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine is sourced from PubChem (CID 21027223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).