1,1-bis(5-hydroxypentyl)guanidine

C11H25N3O2 — CID 18681351

IUPAC1,1-bis(5-hydroxypentyl)guanidine
SMILES[H]/N=C(\N)N(CCCCCO)CCCCCO
InChIInChI=1S/C11H25N3O2/c12-11(13)14(7-3-1-5-9-15)8-4-2-6-10-16/h15-16H,1-10H2,(H3,12,13)
InChIKeyGJIDVSHGNJIROL-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.51
Rot. Bonds10

About 1,1-bis(5-hydroxypentyl)guanidine

1,1-bis(5-hydroxypentyl)guanidine (PubChem CID 18681351) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1,1-bis(5-hydroxypentyl)guanidine.

Molecular Properties

Compound Name1,1-bis(5-hydroxypentyl)guanidine
PubChem CID18681351
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1,1-bis(5-hydroxypentyl)guanidine
SMILES[H]/N=C(\N)N(CCCCCO)CCCCCO
InChIInChI=1S/C11H25N3O2/c12-11(13)14(7-3-1-5-9-15)8-4-2-6-10-16/h15-16H,1-10H2,(H3,12,13)
InChIKeyGJIDVSHGNJIROL-UHFFFAOYSA-N
XLogP0.51
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 1,1-bis(5-hydroxypentyl)guanidine?
The IUPAC name of 1,1-bis(5-hydroxypentyl)guanidine (CID 18681351) is 1,1-bis(5-hydroxypentyl)guanidine.
What is the SMILES notation for 1,1-bis(5-hydroxypentyl)guanidine?
The canonical SMILES for 1,1-bis(5-hydroxypentyl)guanidine is [H]/N=C(\N)N(CCCCCO)CCCCCO.
What is the InChIKey of 1,1-bis(5-hydroxypentyl)guanidine?
The InChIKey is GJIDVSHGNJIROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c12-11(13)14(7-3-1-5-9-15)8-4-2-6-10-16/h15-16H,1-10H2,(H3,12,13).
What are the key properties of 1,1-bis(5-hydroxypentyl)guanidine?
1,1-bis(5-hydroxypentyl)guanidine has a molecular weight of 231.34 g/mol, XLogP of 0.51, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(5-hydroxypentyl)guanidine is sourced from PubChem (CID 18681351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).