2-(2-methylpentoxy)pyridine-3-carboximidamide

C12H19N3O — CID 103283937

IUPAC2-(2-methylpentoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1OCC(C)CCC
InChIInChI=1S/C12H19N3O/c1-3-5-9(2)8-16-12-10(11(13)14)6-4-7-15-12/h4,6-7,9H,3,5,8H2,1-2H3,(H3,13,14)
InChIKeyJIYMQAAOOKTODJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.18
Rot. Bonds6

About 2-(2-methylpentoxy)pyridine-3-carboximidamide

2-(2-methylpentoxy)pyridine-3-carboximidamide (PubChem CID 103283937) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-methylpentoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-methylpentoxy)pyridine-3-carboximidamide
PubChem CID103283937
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(2-methylpentoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1OCC(C)CCC
InChIInChI=1S/C12H19N3O/c1-3-5-9(2)8-16-12-10(11(13)14)6-4-7-15-12/h4,6-7,9H,3,5,8H2,1-2H3,(H3,13,14)
InChIKeyJIYMQAAOOKTODJ-UHFFFAOYSA-N
XLogP2.18
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.18
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

2-hexoxypyridine-3-carboximidamide
CID 29002899
2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide
CID 107665100
2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 24699862
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 82240665
5-(2-methylpentoxy)pyrazine-2-carboximidamide
CID 103283955
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
CID 82240751
2-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
CID 65471181
N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
CID 103285396
2-[ethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 43265878

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)pyridine-3-carboximidamide?
The IUPAC name of 2-(2-methylpentoxy)pyridine-3-carboximidamide (CID 103283937) is 2-(2-methylpentoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-methylpentoxy)pyridine-3-carboximidamide?
The canonical SMILES for 2-(2-methylpentoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1OCC(C)CCC.
What is the InChIKey of 2-(2-methylpentoxy)pyridine-3-carboximidamide?
The InChIKey is JIYMQAAOOKTODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-5-9(2)8-16-12-10(11(13)14)6-4-7-15-12/h4,6-7,9H,3,5,8H2,1-2H3,(H3,13,14).
What are the key properties of 2-(2-methylpentoxy)pyridine-3-carboximidamide?
2-(2-methylpentoxy)pyridine-3-carboximidamide has a molecular weight of 221.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 103283937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).