2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide

C14H23N3O — CID 81051981

IUPAC2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCCC(C)C)cc(C)nc1C
InChIInChI=1S/C14H23N3O/c1-9(2)6-5-7-18-12-8-10(3)17-11(4)13(12)14(15)16/h8-9H,5-7H2,1-4H3,(H3,15,16)
InChIKeyPXEITXCFWRIVGV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.80
Rot. Bonds6

About 2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide

2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide (PubChem CID 81051981) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide
PubChem CID81051981
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCCC(C)C)cc(C)nc1C
InChIInChI=1S/C14H23N3O/c1-9(2)6-5-7-18-12-8-10(3)17-11(4)13(12)14(15)16/h8-9H,5-7H2,1-4H3,(H3,15,16)
InChIKeyPXEITXCFWRIVGV-UHFFFAOYSA-N
XLogP2.80
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.80
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

2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide
CID 81036918
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide
CID 81036309
4-methoxy-2,6-dimethylpyridine-3-carboximidamide
CID 81052054
4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81052445
2-(4-methylpentoxy)benzenecarboximidamide
CID 29002875
4-(4-hydroxybutan-2-ylsulfanyl)-2,6-dimethylpyridine-3-carboximidamide
CID 81052236
2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 81037767
3-bromo-4-(4-methylpentoxy)benzenecarboximidamide
CID 82799328
2,6-dimethyl-4-(methylamino)pyridine-3-carboximidamide
CID 81052045
4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
CID 61177313
2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide
CID 81054324
2,6-dimethyl-4-[methyl(pentyl)amino]pyridine-3-carboximidamide
CID 81054323

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide (CID 81051981) is 2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1c(OCCCC(C)C)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide?
The InChIKey is PXEITXCFWRIVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)6-5-7-18-12-8-10(3)17-11(4)13(12)14(15)16/h8-9H,5-7H2,1-4H3,(H3,15,16).
What are the key properties of 2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide?
2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide has a molecular weight of 249.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 81051981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).