3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide

C10H23N3O — CID 79387114

IUPAC3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(CC)CC(C)(C)O
InChIInChI=1S/C10H23N3O/c1-5-13(7-10(3,4)14)8(2)6-9(11)12/h8,14H,5-7H2,1-4H3,(H3,11,12)
InChIKeyBYVRJLARXXHZTJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.79
Rot. Bonds6

About 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide

3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide (PubChem CID 79387114) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide.

Molecular Properties

Compound Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide
PubChem CID79387114
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(CC)CC(C)(C)O
InChIInChI=1S/C10H23N3O/c1-5-13(7-10(3,4)14)8(2)6-9(11)12/h8,14H,5-7H2,1-4H3,(H3,11,12)
InChIKeyBYVRJLARXXHZTJ-UHFFFAOYSA-N
XLogP0.79
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.79
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 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide?
The IUPAC name of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide (CID 79387114) is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide.
What is the SMILES notation for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide?
The canonical SMILES for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(CC)CC(C)(C)O.
What is the InChIKey of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide?
The InChIKey is BYVRJLARXXHZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-13(7-10(3,4)14)8(2)6-9(11)12/h8,14H,5-7H2,1-4H3,(H3,11,12).
What are the key properties of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide?
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide has a molecular weight of 201.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanimidamide is sourced from PubChem (CID 79387114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).