1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine

C8H17N3O — CID 62411955

IUPAC1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine
SMILESCC(CO)C/N=C(\N)NC1CC1
InChIInChI=1S/C8H17N3O/c1-6(5-12)4-10-8(9)11-7-2-3-7/h6-7,12H,2-5H2,1H3,(H3,9,10,11)
InChIKeyBFXORWUEGMKFOS-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.32
Rot. Bonds4

About 1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine

1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine (PubChem CID 62411955) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine
PubChem CID62411955
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine
SMILESCC(CO)C/N=C(\N)NC1CC1
InChIInChI=1S/C8H17N3O/c1-6(5-12)4-10-8(9)11-7-2-3-7/h6-7,12H,2-5H2,1H3,(H3,9,10,11)
InChIKeyBFXORWUEGMKFOS-UHFFFAOYSA-N
XLogP-0.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.32
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 1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)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

1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine
CID 131134548
1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
CID 62363573
1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
CID 62362453
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
CID 95766819
1-cyclopropyl-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110925393
1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine
CID 103711686
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
1-cyclopropyl-2-(2-methylprop-2-enyl)guanidine
CID 115612296
1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine
CID 65123694
1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine
CID 115600994
1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111422983

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine (CID 62411955) is 1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine is CC(CO)C/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine?
The InChIKey is BFXORWUEGMKFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(5-12)4-10-8(9)11-7-2-3-7/h6-7,12H,2-5H2,1H3,(H3,9,10,11).
What are the key properties of 1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine?
1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine has a molecular weight of 171.24 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine is sourced from PubChem (CID 62411955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).