2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine

C9H19N3O — CID 63297072

IUPAC2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(O)C1CC1
InChIInChI=1S/C9H19N3O/c1-6(2)12-9(10)11-5-8(13)7-3-4-7/h6-8,13H,3-5H2,1-2H3,(H3,10,11,12)
InChIKeyDQTZXIIDALJTPP-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.07
Rot. Bonds4

About 2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine

2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine (PubChem CID 63297072) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine
PubChem CID63297072
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(O)C1CC1
InChIInChI=1S/C9H19N3O/c1-6(2)12-9(10)11-5-8(13)7-3-4-7/h6-8,13H,3-5H2,1-2H3,(H3,10,11,12)
InChIKeyDQTZXIIDALJTPP-UHFFFAOYSA-N
XLogP0.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.07
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-(2-cyclopropyl-2-hydroxyethyl)-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-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine (CID 63297072) is 2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CC(O)C1CC1.
What is the InChIKey of 2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine?
The InChIKey is DQTZXIIDALJTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6(2)12-9(10)11-5-8(13)7-3-4-7/h6-8,13H,3-5H2,1-2H3,(H3,10,11,12).
What are the key properties of 2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine?
2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine has a molecular weight of 185.27 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-hydroxyethyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 63297072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).