2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide

C11H17N3O — CID 43368929

IUPAC2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COCCc1ccccn1
InChIInChI=1S/C11H17N3O/c1-9(11(12)13)8-15-7-5-10-4-2-3-6-14-10/h2-4,6,9H,5,7-8H2,1H3,(H3,12,13)
InChIKeyWIMHTPUCGCIVHV-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.21
Rot. Bonds6

About 2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide

2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide (PubChem CID 43368929) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide
PubChem CID43368929
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COCCc1ccccn1
InChIInChI=1S/C11H17N3O/c1-9(11(12)13)8-15-7-5-10-4-2-3-6-14-10/h2-4,6,9H,5,7-8H2,1H3,(H3,12,13)
InChIKeyWIMHTPUCGCIVHV-UHFFFAOYSA-N
XLogP1.21
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-2-(2-pyridin-2-ylethoxymethyl)propanimidamide
CID 103370979
4-(2-pyridin-2-ylethoxy)butanimidamide
CID 43128902
2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile
CID 43174893
3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 43128901
3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 29006279
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 62269338
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
3,3,3-trifluoro-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]propanimidamide
CID 103370556
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 81293475
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide?
The IUPAC name of 2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide (CID 43368929) is 2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide.
What is the SMILES notation for 2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide?
The canonical SMILES for 2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide is [H]/N=C(\N)C(C)COCCc1ccccn1.
What is the InChIKey of 2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide?
The InChIKey is WIMHTPUCGCIVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(11(12)13)8-15-7-5-10-4-2-3-6-14-10/h2-4,6,9H,5,7-8H2,1H3,(H3,12,13).
What are the key properties of 2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide?
2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide has a molecular weight of 207.28 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide is sourced from PubChem (CID 43368929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).