2-(2-hydroxy-2,4-dimethylpentyl)guanidine

C8H19N3O — CID 66171670

IUPAC2-(2-hydroxy-2,4-dimethylpentyl)guanidine
SMILESCC(C)CC(C)(O)CN=C(N)N
InChIInChI=1S/C8H19N3O/c1-6(2)4-8(3,12)5-11-7(9)10/h6,12H,4-5H2,1-3H3,(H4,9,10,11)
InChIKeyJULGJKOVMBVRNG-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.06
Rot. Bonds4

About 2-(2-hydroxy-2,4-dimethylpentyl)guanidine

2-(2-hydroxy-2,4-dimethylpentyl)guanidine (PubChem CID 66171670) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(2-hydroxy-2,4-dimethylpentyl)guanidine.

Molecular Properties

Compound Name2-(2-hydroxy-2,4-dimethylpentyl)guanidine
PubChem CID66171670
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-(2-hydroxy-2,4-dimethylpentyl)guanidine
SMILESCC(C)CC(C)(O)CN=C(N)N
InChIInChI=1S/C8H19N3O/c1-6(2)4-8(3,12)5-11-7(9)10/h6,12H,4-5H2,1-3H3,(H4,9,10,11)
InChIKeyJULGJKOVMBVRNG-UHFFFAOYSA-N
XLogP0.06
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(2-hydroxy-2,4-dimethylpentyl)guanidine?
The IUPAC name of 2-(2-hydroxy-2,4-dimethylpentyl)guanidine (CID 66171670) is 2-(2-hydroxy-2,4-dimethylpentyl)guanidine.
What is the SMILES notation for 2-(2-hydroxy-2,4-dimethylpentyl)guanidine?
The canonical SMILES for 2-(2-hydroxy-2,4-dimethylpentyl)guanidine is CC(C)CC(C)(O)CN=C(N)N.
What is the InChIKey of 2-(2-hydroxy-2,4-dimethylpentyl)guanidine?
The InChIKey is JULGJKOVMBVRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-6(2)4-8(3,12)5-11-7(9)10/h6,12H,4-5H2,1-3H3,(H4,9,10,11).
What are the key properties of 2-(2-hydroxy-2,4-dimethylpentyl)guanidine?
2-(2-hydroxy-2,4-dimethylpentyl)guanidine has a molecular weight of 173.26 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2,4-dimethylpentyl)guanidine is sourced from PubChem (CID 66171670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).