3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide

C8H19N3O — CID 79387020

IUPAC3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC(C)(C)O
InChIInChI=1S/C8H19N3O/c1-8(2,12)6-11(3)5-4-7(9)10/h12H,4-6H2,1-3H3,(H3,9,10)
InChIKeyFFABNCQPTVTSQG-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.02
Rot. Bonds5

About 3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide

3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide (PubChem CID 79387020) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
PubChem CID79387020
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC(C)(C)O
InChIInChI=1S/C8H19N3O/c1-8(2,12)6-11(3)5-4-7(9)10/h12H,4-6H2,1-3H3,(H3,9,10)
InChIKeyFFABNCQPTVTSQG-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
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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Related Compounds

2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide
CID 79387470
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanimidamide
CID 79387749
3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
3-[butyl(methyl)amino]propanimidamide
CID 24696065
1-[2-aminoethyl(methyl)amino]-2-methylpropan-2-ol
CID 54431132
5-hydroxy-5-methylhexanimidamide
CID 159996634
3-[dimethylamino(ethyl)amino]propanimidamide
CID 150321810
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanimidamide
CID 79387290
3-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 43457219
3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490646
3-(diethylamino)propanimidamide;hydrochloride
CID 82021474
3-(diethylamino)propanimidamide;dihydrochloride
CID 42614718

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide?
The IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide (CID 79387020) is 3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide.
What is the SMILES notation for 3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide?
The canonical SMILES for 3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide is [H]/N=C(\N)CCN(C)CC(C)(C)O.
What is the InChIKey of 3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide?
The InChIKey is FFABNCQPTVTSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-8(2,12)6-11(3)5-4-7(9)10/h12H,4-6H2,1-3H3,(H3,9,10).
What are the key properties of 3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide?
3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide is sourced from PubChem (CID 79387020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).