2-(3-hydroxypropyl)-1-methylideneguanidine

C5H11N3O — CID 142917146

IUPAC2-(3-hydroxypropyl)-1-methylideneguanidine
SMILESC=N/C(N)=N\CCCO
InChIInChI=1S/C5H11N3O/c1-7-5(6)8-3-2-4-9/h9H,1-4H2,(H2,6,8)
InChIKeyUGOHZXIBGHQKGR-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.62
Rot. Bonds3

About 2-(3-hydroxypropyl)-1-methylideneguanidine

2-(3-hydroxypropyl)-1-methylideneguanidine (PubChem CID 142917146) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-1-methylideneguanidine.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-1-methylideneguanidine
PubChem CID142917146
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name2-(3-hydroxypropyl)-1-methylideneguanidine
SMILESC=N/C(N)=N\CCCO
InChIInChI=1S/C5H11N3O/c1-7-5(6)8-3-2-4-9/h9H,1-4H2,(H2,6,8)
InChIKeyUGOHZXIBGHQKGR-UHFFFAOYSA-N
XLogP-0.62
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-(3-hydroxypropyl)-1-methylideneguanidine?
The IUPAC name of 2-(3-hydroxypropyl)-1-methylideneguanidine (CID 142917146) is 2-(3-hydroxypropyl)-1-methylideneguanidine.
What is the SMILES notation for 2-(3-hydroxypropyl)-1-methylideneguanidine?
The canonical SMILES for 2-(3-hydroxypropyl)-1-methylideneguanidine is C=N/C(N)=N\CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)-1-methylideneguanidine?
The InChIKey is UGOHZXIBGHQKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-7-5(6)8-3-2-4-9/h9H,1-4H2,(H2,6,8).
What are the key properties of 2-(3-hydroxypropyl)-1-methylideneguanidine?
2-(3-hydroxypropyl)-1-methylideneguanidine has a molecular weight of 129.16 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-1-methylideneguanidine is sourced from PubChem (CID 142917146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).