2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine

C6H15N3O2 — CID 76944277

IUPAC2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine
SMILESCCCN(CCO)C(N)=NO
InChIInChI=1S/C6H15N3O2/c1-2-3-9(4-5-10)6(7)8-11/h10-11H,2-5H2,1H3,(H2,7,8)
InChIKeyYOYHFLYRXXHGQE-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.61
Rot. Bonds4

About 2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine

2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine (PubChem CID 76944277) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine.

Molecular Properties

Compound Name2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine
PubChem CID76944277
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine
SMILESCCCN(CCO)C(N)=NO
InChIInChI=1S/C6H15N3O2/c1-2-3-9(4-5-10)6(7)8-11/h10-11H,2-5H2,1H3,(H2,7,8)
InChIKeyYOYHFLYRXXHGQE-UHFFFAOYSA-N
XLogP-0.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-N-propylcyclopropane-1-carboxamide
CID 80597605
N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
CID 108509852
2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine
CID 77054054
2-cyclopropyl-1,1-dipropylguanidine
CID 62359563
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide
CID 109374606
(2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide
CID 79024351
1-ethyl-1,2-dipropylguanidine
CID 62359189
2-[1-aminoethenyl(butyl)amino]ethanol
CID 166647301
1-amino-N-(2-hydroxyethyl)-N-propylcyclopropane-1-carboxamide
CID 65466619
(2R)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-propylbutanamide
CID 79012704
2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 103513896
2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol
CID 118332539

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine?
The IUPAC name of 2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine (CID 76944277) is 2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine.
What is the SMILES notation for 2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine?
The canonical SMILES for 2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine is CCCN(CCO)C(N)=NO.
What is the InChIKey of 2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine?
The InChIKey is YOYHFLYRXXHGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-2-3-9(4-5-10)6(7)8-11/h10-11H,2-5H2,1H3,(H2,7,8).
What are the key properties of 2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine?
2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine has a molecular weight of 161.20 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine is sourced from PubChem (CID 76944277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).