ethane;1-hydroxy-2-propylguanidine

C6H17N3O — CID 162518458

IUPACethane;1-hydroxy-2-propylguanidine
SMILESCC.CCC/N=C(\N)NO
InChIInChI=1S/C4H11N3O.C2H6/c1-2-3-6-4(5)7-8;1-2/h8H,2-3H2,1H3,(H3,5,6,7);1-2H3
InChIKeyHCFSWMCGDIRJDH-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.72
Rot. Bonds2

About ethane;1-hydroxy-2-propylguanidine

ethane;1-hydroxy-2-propylguanidine (PubChem CID 162518458) has the molecular formula C6H17N3O and a molecular weight of 147.22 g/mol. Its IUPAC name is ethane;1-hydroxy-2-propylguanidine.

Molecular Properties

Compound Nameethane;1-hydroxy-2-propylguanidine
PubChem CID162518458
Molecular FormulaC6H17N3O
Molecular Weight147.22 g/mol
Exact Mass147.14
IUPAC Nameethane;1-hydroxy-2-propylguanidine
SMILESCC.CCC/N=C(\N)NO
InChIInChI=1S/C4H11N3O.C2H6/c1-2-3-6-4(5)7-8;1-2/h8H,2-3H2,1H3,(H3,5,6,7);1-2H3
InChIKeyHCFSWMCGDIRJDH-UHFFFAOYSA-N
XLogP0.72
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.72
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-hydroxy-2-propylguanidine?
The IUPAC name of ethane;1-hydroxy-2-propylguanidine (CID 162518458) is ethane;1-hydroxy-2-propylguanidine.
What is the SMILES notation for ethane;1-hydroxy-2-propylguanidine?
The canonical SMILES for ethane;1-hydroxy-2-propylguanidine is CC.CCC/N=C(\N)NO.
What is the InChIKey of ethane;1-hydroxy-2-propylguanidine?
The InChIKey is HCFSWMCGDIRJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O.C2H6/c1-2-3-6-4(5)7-8;1-2/h8H,2-3H2,1H3,(H3,5,6,7);1-2H3.
What are the key properties of ethane;1-hydroxy-2-propylguanidine?
ethane;1-hydroxy-2-propylguanidine has a molecular weight of 147.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hydroxy-2-propylguanidine is sourced from PubChem (CID 162518458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).