5-hydroxy-4-methylpentanimidamide

C6H14N2O — CID 91614670

IUPAC5-hydroxy-4-methylpentanimidamide
SMILES[H]/N=C(\N)CCC(C)CO
InChIInChI=1S/C6H14N2O/c1-5(4-9)2-3-6(7)8/h5,9H,2-4H2,1H3,(H3,7,8)
InChIKeyQVOJNOZSMGBTIN-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.33
Rot. Bonds4

About 5-hydroxy-4-methylpentanimidamide

5-hydroxy-4-methylpentanimidamide (PubChem CID 91614670) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 5-hydroxy-4-methylpentanimidamide.

Molecular Properties

Compound Name5-hydroxy-4-methylpentanimidamide
PubChem CID91614670
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name5-hydroxy-4-methylpentanimidamide
SMILES[H]/N=C(\N)CCC(C)CO
InChIInChI=1S/C6H14N2O/c1-5(4-9)2-3-6(7)8/h5,9H,2-4H2,1H3,(H3,7,8)
InChIKeyQVOJNOZSMGBTIN-UHFFFAOYSA-N
XLogP0.33
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

4-Hydroxy-3-methylbutanimidamide
CID 19031159
3,3-Bis(hydroxymethyl)cyclobutane-1-carboximidamide
CID 53818296
2-(Hydroxymethyl)butanimidamide
CID 54242476
5-Hydroxypentanimidamide
CID 54349250
(1-Azaniumyl-4-hydroxy-2-methylbutylidene)azanium
CID 58250181
4-Hydroxy-2-methylbutanimidamide
CID 58250182
5-Hydroxy-4,4-dimethylpentanimidamide;hydrochloride
CID 160624526
3-(Dihydroxymethyl)cyclobutane-1-carboximidamide
CID 19597540
5-Hydroxy-2,2-dimethylpentanimidamide
CID 65258062
5-Hydroxy-3-methylheptanimidamide
CID 158806366
5-Hydroxy-4-methylheptanimidamide
CID 158806367
(3R)-4-hydroxy-3-methylbutanimidamide
CID 160079658

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methylpentanimidamide?
The IUPAC name of 5-hydroxy-4-methylpentanimidamide (CID 91614670) is 5-hydroxy-4-methylpentanimidamide.
What is the SMILES notation for 5-hydroxy-4-methylpentanimidamide?
The canonical SMILES for 5-hydroxy-4-methylpentanimidamide is [H]/N=C(\N)CCC(C)CO.
What is the InChIKey of 5-hydroxy-4-methylpentanimidamide?
The InChIKey is QVOJNOZSMGBTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(4-9)2-3-6(7)8/h5,9H,2-4H2,1H3,(H3,7,8).
What are the key properties of 5-hydroxy-4-methylpentanimidamide?
5-hydroxy-4-methylpentanimidamide has a molecular weight of 130.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methylpentanimidamide is sourced from PubChem (CID 91614670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).