2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide

C9H21N3O2 — CID 77056308

IUPAC2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide
SMILESCCC(O)(CC)CNC(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-4-9(13,5-2)6-11-7(3)8(10)12-14/h7,11,13-14H,4-6H2,1-3H3,(H2,10,12)
InChIKeyNPAUUIIREOXMII-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.26
Rot. Bonds6

About 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide

2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide (PubChem CID 77056308) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide
PubChem CID77056308
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide
SMILESCCC(O)(CC)CNC(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-4-9(13,5-2)6-11-7(3)8(10)12-14/h7,11,13-14H,4-6H2,1-3H3,(H2,10,12)
InChIKeyNPAUUIIREOXMII-UHFFFAOYSA-N
XLogP0.26
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide (CID 77056308) is 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide is CCC(O)(CC)CNC(C)C(N)=NO.
What is the InChIKey of 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is NPAUUIIREOXMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-4-9(13,5-2)6-11-7(3)8(10)12-14/h7,11,13-14H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide?
2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.26, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77056308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).