3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide

C13H22N4O — CID 81056406

IUPAC3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)CCOC(C)C
InChIInChI=1S/C13H22N4O/c1-10(2)18-8-7-17(3)9-11-5-4-6-16-12(11)13(14)15/h4-6,10H,7-9H2,1-3H3,(H3,14,15)
InChIKeyRLMZKIYRUYODGK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.22
Rot. Bonds7

About 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide

3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide (PubChem CID 81056406) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide
PubChem CID81056406
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)CCOC(C)C
InChIInChI=1S/C13H22N4O/c1-10(2)18-8-7-17(3)9-11-5-4-6-16-12(11)13(14)15/h4-6,10H,7-9H2,1-3H3,(H3,14,15)
InChIKeyRLMZKIYRUYODGK-UHFFFAOYSA-N
XLogP1.22
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide (CID 81056406) is 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(C)CCOC(C)C.
What is the InChIKey of 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide?
The InChIKey is RLMZKIYRUYODGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)18-8-7-17(3)9-11-5-4-6-16-12(11)13(14)15/h4-6,10H,7-9H2,1-3H3,(H3,14,15).
What are the key properties of 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide?
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide has a molecular weight of 250.35 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 81056406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).