2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine

C9H21N3 — CID 62358413

IUPAC2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine
SMILESC/N=C(\N)N(CC(C)C)C(C)C
InChIInChI=1S/C9H21N3/c1-7(2)6-12(8(3)4)9(10)11-5/h7-8H,6H2,1-5H3,(H2,10,11)
InChIKeySCVQUDILNMCUHS-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.30
Rot. Bonds3

About 2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine

2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine (PubChem CID 62358413) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine
PubChem CID62358413
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine
SMILESC/N=C(\N)N(CC(C)C)C(C)C
InChIInChI=1S/C9H21N3/c1-7(2)6-12(8(3)4)9(10)11-5/h7-8H,6H2,1-5H3,(H2,10,11)
InChIKeySCVQUDILNMCUHS-UHFFFAOYSA-N
XLogP1.30
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.30
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 2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine 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 2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine (CID 62358413) is 2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine is C/N=C(\N)N(CC(C)C)C(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine?
The InChIKey is SCVQUDILNMCUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-7(2)6-12(8(3)4)9(10)11-5/h7-8H,6H2,1-5H3,(H2,10,11).
What are the key properties of 2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine?
2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine has a molecular weight of 171.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 62358413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).