2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine

C8H17N3O — CID 62361749

IUPAC2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine
SMILESCC(C)(CO)N/C(N)=N/C1CC1
InChIInChI=1S/C8H17N3O/c1-8(2,5-12)11-7(9)10-6-3-4-6/h6,12H,3-5H2,1-2H3,(H3,9,10,11)
InChIKeyKWOGXGWQZYAHDA-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.18
Rot. Bonds3

About 2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine

2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine (PubChem CID 62361749) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine
PubChem CID62361749
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine
SMILESCC(C)(CO)N/C(N)=N/C1CC1
InChIInChI=1S/C8H17N3O/c1-8(2,5-12)11-7(9)10-6-3-4-6/h6,12H,3-5H2,1-2H3,(H3,9,10,11)
InChIKeyKWOGXGWQZYAHDA-UHFFFAOYSA-N
XLogP-0.18
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-1-(1-hydroxy-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine (CID 62361749) is 2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine is CC(C)(CO)N/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine?
The InChIKey is KWOGXGWQZYAHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(2,5-12)11-7(9)10-6-3-4-6/h6,12H,3-5H2,1-2H3,(H3,9,10,11).
What are the key properties of 2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine?
2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine has a molecular weight of 171.24 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-hydroxy-2-methylpropan-2-yl)guanidine is sourced from PubChem (CID 62361749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).