1-(3-hydroxypropyl)-2-propylguanidine

C7H17N3O — CID 62362401

IUPAC1-(3-hydroxypropyl)-2-propylguanidine
SMILESCCC/N=C(\N)NCCCO
InChIInChI=1S/C7H17N3O/c1-2-4-9-7(8)10-5-3-6-11/h11H,2-6H2,1H3,(H3,8,9,10)
InChIKeyVWPFEBJBZWTMOZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.32
Rot. Bonds5

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

1-(3-hydroxypropyl)-2-propylguanidine (PubChem CID 62362401) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2-propylguanidine
PubChem CID62362401
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name1-(3-hydroxypropyl)-2-propylguanidine
SMILESCCC/N=C(\N)NCCCO
InChIInChI=1S/C7H17N3O/c1-2-4-9-7(8)10-5-3-6-11/h11H,2-6H2,1H3,(H3,8,9,10)
InChIKeyVWPFEBJBZWTMOZ-UHFFFAOYSA-N
XLogP-0.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
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 1-(3-hydroxypropyl)-2-propylguanidine?
The IUPAC name of 1-(3-hydroxypropyl)-2-propylguanidine (CID 62362401) is 1-(3-hydroxypropyl)-2-propylguanidine.
What is the SMILES notation for 1-(3-hydroxypropyl)-2-propylguanidine?
The canonical SMILES for 1-(3-hydroxypropyl)-2-propylguanidine is CCC/N=C(\N)NCCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-2-propylguanidine?
The InChIKey is VWPFEBJBZWTMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-2-4-9-7(8)10-5-3-6-11/h11H,2-6H2,1H3,(H3,8,9,10).
What are the key properties of 1-(3-hydroxypropyl)-2-propylguanidine?
1-(3-hydroxypropyl)-2-propylguanidine has a molecular weight of 159.23 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2-propylguanidine is sourced from PubChem (CID 62362401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).