1-(2-hydroxyethyl)-2-methyl-3-propylguanidine

C7H17N3O — CID 58747081

IUPAC1-(2-hydroxyethyl)-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCCO
InChIInChI=1S/C7H17N3O/c1-3-4-9-7(8-2)10-5-6-11/h11H,3-6H2,1-2H3,(H2,8,9,10)
InChIKeyWPABHTCALMHPHV-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.45
Rot. Bonds4

About 1-(2-hydroxyethyl)-2-methyl-3-propylguanidine

1-(2-hydroxyethyl)-2-methyl-3-propylguanidine (PubChem CID 58747081) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-methyl-3-propylguanidine.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-methyl-3-propylguanidine
PubChem CID58747081
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name1-(2-hydroxyethyl)-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NCCO
InChIInChI=1S/C7H17N3O/c1-3-4-9-7(8-2)10-5-6-11/h11H,3-6H2,1-2H3,(H2,8,9,10)
InChIKeyWPABHTCALMHPHV-UHFFFAOYSA-N
XLogP-0.45
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.45
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2-methyl-3-propylguanidine?
The IUPAC name of 1-(2-hydroxyethyl)-2-methyl-3-propylguanidine (CID 58747081) is 1-(2-hydroxyethyl)-2-methyl-3-propylguanidine.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-methyl-3-propylguanidine?
The canonical SMILES for 1-(2-hydroxyethyl)-2-methyl-3-propylguanidine is CCCN/C(=N\C)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-2-methyl-3-propylguanidine?
The InChIKey is WPABHTCALMHPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-3-4-9-7(8-2)10-5-6-11/h11H,3-6H2,1-2H3,(H2,8,9,10).
What are the key properties of 1-(2-hydroxyethyl)-2-methyl-3-propylguanidine?
1-(2-hydroxyethyl)-2-methyl-3-propylguanidine has a molecular weight of 159.23 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2-methyl-3-propylguanidine is sourced from PubChem (CID 58747081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).