2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine

C13H19N3O — CID 63264965

IUPAC2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine
SMILESN/C(=N\C1CC1)NC(CO)Cc1ccccc1
InChIInChI=1S/C13H19N3O/c14-13(15-11-6-7-11)16-12(9-17)8-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H3,14,15,16)
InChIKeyHNSRXPARQJIZKW-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.66
Rot. Bonds5

About 2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine

2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine (PubChem CID 63264965) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine
PubChem CID63264965
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine
SMILESN/C(=N\C1CC1)NC(CO)Cc1ccccc1
InChIInChI=1S/C13H19N3O/c14-13(15-11-6-7-11)16-12(9-17)8-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H3,14,15,16)
InChIKeyHNSRXPARQJIZKW-UHFFFAOYSA-N
XLogP0.66
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.66
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'}

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Related Compounds

2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824862
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CID 22088923
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide
CID 107863124
2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
CID 62369558
2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine
CID 62362767
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide
CID 81329667

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine (CID 63264965) is 2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine is N/C(=N\C1CC1)NC(CO)Cc1ccccc1.
What is the InChIKey of 2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine?
The InChIKey is HNSRXPARQJIZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13(15-11-6-7-11)16-12(9-17)8-10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H3,14,15,16).
What are the key properties of 2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine?
2-cyclopropyl-1-(1-hydroxy-3-phenylpropan-2-yl)guanidine has a molecular weight of 233.31 g/mol, XLogP of 0.66, 5 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-3-phenylpropan-2-yl)guanidine is sourced from PubChem (CID 63264965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).