1,2-bis(6-hydroxyhexyl)guanidine

C13H29N3O2 — CID 23104049

IUPAC1,2-bis(6-hydroxyhexyl)guanidine
SMILESN/C(=N\CCCCCCO)NCCCCCCO
InChIInChI=1S/C13H29N3O2/c14-13(15-9-5-1-3-7-11-17)16-10-6-2-4-8-12-18/h17-18H,1-12H2,(H3,14,15,16)
InChIKeyGZORMWAKKXZXQP-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.00
Rot. Bonds12

About 1,2-bis(6-hydroxyhexyl)guanidine

1,2-bis(6-hydroxyhexyl)guanidine (PubChem CID 23104049) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1,2-bis(6-hydroxyhexyl)guanidine.

Molecular Properties

Compound Name1,2-bis(6-hydroxyhexyl)guanidine
PubChem CID23104049
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name1,2-bis(6-hydroxyhexyl)guanidine
SMILESN/C(=N\CCCCCCO)NCCCCCCO
InChIInChI=1S/C13H29N3O2/c14-13(15-9-5-1-3-7-11-17)16-10-6-2-4-8-12-18/h17-18H,1-12H2,(H3,14,15,16)
InChIKeyGZORMWAKKXZXQP-UHFFFAOYSA-N
XLogP1.00
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.00
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 1,2-bis(6-hydroxyhexyl)guanidine?
The IUPAC name of 1,2-bis(6-hydroxyhexyl)guanidine (CID 23104049) is 1,2-bis(6-hydroxyhexyl)guanidine.
What is the SMILES notation for 1,2-bis(6-hydroxyhexyl)guanidine?
The canonical SMILES for 1,2-bis(6-hydroxyhexyl)guanidine is N/C(=N\CCCCCCO)NCCCCCCO.
What is the InChIKey of 1,2-bis(6-hydroxyhexyl)guanidine?
The InChIKey is GZORMWAKKXZXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c14-13(15-9-5-1-3-7-11-17)16-10-6-2-4-8-12-18/h17-18H,1-12H2,(H3,14,15,16).
What are the key properties of 1,2-bis(6-hydroxyhexyl)guanidine?
1,2-bis(6-hydroxyhexyl)guanidine has a molecular weight of 259.39 g/mol, XLogP of 1.00, 12 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(6-hydroxyhexyl)guanidine is sourced from PubChem (CID 23104049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).