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

C7H17N3O — CID 79387470

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CC(C)(C)O
InChIInChI=1S/C7H17N3O/c1-7(2,11)5-10(3)4-6(8)9/h11H,4-5H2,1-3H3,(H3,8,9)
InChIKeyBVHSEHRLEQWNDX-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.37
Rot. Bonds4

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

2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide (PubChem CID 79387470) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide
PubChem CID79387470
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CC(C)(C)O
InChIInChI=1S/C7H17N3O/c1-7(2,11)5-10(3)4-6(8)9/h11H,4-5H2,1-3H3,(H3,8,9)
InChIKeyBVHSEHRLEQWNDX-UHFFFAOYSA-N
XLogP-0.37
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.37
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]ethanimidamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide (CID 79387470) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide is [H]/N=C(\N)CN(C)CC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide?
The InChIKey is BVHSEHRLEQWNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-7(2,11)5-10(3)4-6(8)9/h11H,4-5H2,1-3H3,(H3,8,9).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide?
2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide has a molecular weight of 159.23 g/mol, XLogP of -0.37, 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]ethanimidamide is sourced from PubChem (CID 79387470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).