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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Related Compounds

2-(Morpholin-4-yl)-2-(pyrid-3-yl)ethylamine
CID 4988991
4-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)pyridine-2-carboximidamide
CID 10465543
N-cyano-N'-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 56970803
N-cyano-N'-[3-[4-(2-ethoxyethyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 56970804
4-[[5-(Morpholin-4-ylmethyl)-2-pyridinyl]methyl]morpholine
CID 127044647
N-[(Z)-[amino-(4-methyl-2-pyridinyl)methylidene]amino]morpholine-4-carbothioamide
CID 73212742
N'-(2-morpholin-4-ylethyl)pyridine-2-carboximidamide
CID 71568913
N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide
CID 71568914
(2-Morpholin-4-yl-ethyl)-pyridin-3-ylmethyl-amine
CID 3152378
N-Hydroxy-3-methyl-2-pyridinecarboximidamide
CID 2794732
(2-Methoxyethyl)((pyridin-2-yl)methyl)amine
CID 4723821
4-[(E)-3-phenyl-1-pyridin-2-ylprop-2-enyl]morpholine
CID 15468868

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).