2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide

C8H19N3O — CID 79387922

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(C)CC(C)(C)O
InChIInChI=1S/C8H19N3O/c1-6(7(9)10)11(4)5-8(2,3)12/h6,12H,5H2,1-4H3,(H3,9,10)
InChIKeyDLAJMSCZLQKDFV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.01
Rot. Bonds4

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide

2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide (PubChem CID 79387922) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
PubChem CID79387922
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(C)CC(C)(C)O
InChIInChI=1S/C8H19N3O/c1-6(7(9)10)11(4)5-8(2,3)12/h6,12H,5H2,1-4H3,(H3,9,10)
InChIKeyDLAJMSCZLQKDFV-UHFFFAOYSA-N
XLogP0.01
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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-hydroxy-2-methylpropyl)-methylamino]propanimidamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide (CID 79387922) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide is [H]/N=C(\N)C(C)N(C)CC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide?
The InChIKey is DLAJMSCZLQKDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-6(7(9)10)11(4)5-8(2,3)12/h6,12H,5H2,1-4H3,(H3,9,10).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide?
2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide is sourced from PubChem (CID 79387922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).