1-(6-hydroxyhexyl)-1-methylguanidine

C8H19N3O — CID 18681311

IUPAC1-(6-hydroxyhexyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCCCCCO
InChIInChI=1S/C8H19N3O/c1-11(8(9)10)6-4-2-3-5-7-12/h12H,2-7H2,1H3,(H3,9,10)
InChIKeyNUIMLBAIXLZUME-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.36
Rot. Bonds6

About 1-(6-hydroxyhexyl)-1-methylguanidine

1-(6-hydroxyhexyl)-1-methylguanidine (PubChem CID 18681311) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(6-hydroxyhexyl)-1-methylguanidine.

Molecular Properties

Compound Name1-(6-hydroxyhexyl)-1-methylguanidine
PubChem CID18681311
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-(6-hydroxyhexyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCCCCCO
InChIInChI=1S/C8H19N3O/c1-11(8(9)10)6-4-2-3-5-7-12/h12H,2-7H2,1H3,(H3,9,10)
InChIKeyNUIMLBAIXLZUME-UHFFFAOYSA-N
XLogP0.36
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.36
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-(6-hydroxyhexyl)-1-methylguanidine?
The IUPAC name of 1-(6-hydroxyhexyl)-1-methylguanidine (CID 18681311) is 1-(6-hydroxyhexyl)-1-methylguanidine.
What is the SMILES notation for 1-(6-hydroxyhexyl)-1-methylguanidine?
The canonical SMILES for 1-(6-hydroxyhexyl)-1-methylguanidine is [H]/N=C(\N)N(C)CCCCCCO.
What is the InChIKey of 1-(6-hydroxyhexyl)-1-methylguanidine?
The InChIKey is NUIMLBAIXLZUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-11(8(9)10)6-4-2-3-5-7-12/h12H,2-7H2,1H3,(H3,9,10).
What are the key properties of 1-(6-hydroxyhexyl)-1-methylguanidine?
1-(6-hydroxyhexyl)-1-methylguanidine has a molecular weight of 173.26 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxyhexyl)-1-methylguanidine is sourced from PubChem (CID 18681311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).