5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide

C13H22N4O — CID 115489592

IUPAC5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCOC)C(C)CC)cn1
InChIInChI=1S/C13H22N4O/c1-4-10(2)17(7-8-18-3)11-5-6-12(13(14)15)16-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H3,14,15)
InChIKeyMJYVBVCAUVQAQS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.62
Rot. Bonds7

About 5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide

5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide (PubChem CID 115489592) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide
PubChem CID115489592
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCOC)C(C)CC)cn1
InChIInChI=1S/C13H22N4O/c1-4-10(2)17(7-8-18-3)11-5-6-12(13(14)15)16-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H3,14,15)
InChIKeyMJYVBVCAUVQAQS-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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

5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide
CID 115489703
6-(1-aminoethyl)-N-butan-2-yl-N-(2-methoxyethyl)pyridin-3-amine
CID 83122259
5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide
CID 113321215
(1S)-1-[5-[2-methoxyethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938942
2-[butan-2-yl(2-methoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 55180801
5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990581
5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide
CID 115489614
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562334
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanone
CID 83120329
2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide
CID 82950924
(1R)-1-[5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938600

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide?
The IUPAC name of 5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide (CID 115489592) is 5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide?
The canonical SMILES for 5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(N(CCOC)C(C)CC)cn1.
What is the InChIKey of 5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide?
The InChIKey is MJYVBVCAUVQAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-10(2)17(7-8-18-3)11-5-6-12(13(14)15)16-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H3,14,15).
What are the key properties of 5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide?
5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide has a molecular weight of 250.35 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 115489592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).