N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide

C11H17N3O — CID 100962340

IUPACN'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide
SMILESCCC(C)(O)C/N=C(\N)c1ccccn1
InChIInChI=1S/C11H17N3O/c1-3-11(2,15)8-14-10(12)9-6-4-5-7-13-9/h4-7,15H,3,8H2,1-2H3,(H2,12,14)
InChIKeyNKDZQRMLLHKDIL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.95
Rot. Bonds4

About N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide

N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide (PubChem CID 100962340) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide
PubChem CID100962340
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide
SMILESCCC(C)(O)C/N=C(\N)c1ccccn1
InChIInChI=1S/C11H17N3O/c1-3-11(2,15)8-14-10(12)9-6-4-5-7-13-9/h4-7,15H,3,8H2,1-2H3,(H2,12,14)
InChIKeyNKDZQRMLLHKDIL-UHFFFAOYSA-N
XLogP0.95
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
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

N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154
N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine
CID 102087049
1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol
CID 155782772
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
N'-aminopyridine-2-carboximidamide
CID 5464234
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
N'-[amino(methyl)amino]pyridine-2-carboximidamide
CID 172923686
(1Z,3Z)-1,4-dipyridin-2-ylbuta-1,3-diene-1,4-diamine
CID 145275038
N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
N'-trimethylsilyloxypyridine-2-carboximidamide
CID 91699371
N-(1-amino-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64549265
gallium;bis(N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-N'-ethylcarbamimidothioate);nitrate
CID 42631898

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide?
The IUPAC name of N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide (CID 100962340) is N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide?
The canonical SMILES for N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide is CCC(C)(O)C/N=C(\N)c1ccccn1.
What is the InChIKey of N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide?
The InChIKey is NKDZQRMLLHKDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-11(2,15)8-14-10(12)9-6-4-5-7-13-9/h4-7,15H,3,8H2,1-2H3,(H2,12,14).
What are the key properties of N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide?
N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide has a molecular weight of 207.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide is sourced from PubChem (CID 100962340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).