2-[2-hydroxypropyl(methyl)amino]butanimidamide

C8H19N3O — CID 62335204

IUPAC2-[2-hydroxypropyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)C(CC)N(C)CC(C)O
InChIInChI=1S/C8H19N3O/c1-4-7(8(9)10)11(3)5-6(2)12/h6-7,12H,4-5H2,1-3H3,(H3,9,10)
InChIKeyJYQYALSRURNYGH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.01
Rot. Bonds5

About 2-[2-hydroxypropyl(methyl)amino]butanimidamide

2-[2-hydroxypropyl(methyl)amino]butanimidamide (PubChem CID 62335204) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]butanimidamide.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]butanimidamide
PubChem CID62335204
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-[2-hydroxypropyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)C(CC)N(C)CC(C)O
InChIInChI=1S/C8H19N3O/c1-4-7(8(9)10)11(3)5-6(2)12/h6-7,12H,4-5H2,1-3H3,(H3,9,10)
InChIKeyJYQYALSRURNYGH-UHFFFAOYSA-N
XLogP0.01
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxypropyl(methyl)amino]butanimidamide?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]butanimidamide (CID 62335204) is 2-[2-hydroxypropyl(methyl)amino]butanimidamide.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]butanimidamide?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]butanimidamide is [H]/N=C(\N)C(CC)N(C)CC(C)O.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]butanimidamide?
The InChIKey is JYQYALSRURNYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-4-7(8(9)10)11(3)5-6(2)12/h6-7,12H,4-5H2,1-3H3,(H3,9,10).
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]butanimidamide?
2-[2-hydroxypropyl(methyl)amino]butanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]butanimidamide is sourced from PubChem (CID 62335204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).