2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide

C14H24N4 — CID 81054324

IUPAC2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)CC(C)CC)cc(C)nc1C
InChIInChI=1S/C14H24N4/c1-6-9(2)8-18(5)12-7-10(3)17-11(4)13(12)14(15)16/h7,9H,6,8H2,1-5H3,(H3,15,16)
InChIKeyZCMXQALZYGLQKJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.46
Rot. Bonds5

About 2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide

2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide (PubChem CID 81054324) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide
PubChem CID81054324
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)CC(C)CC)cc(C)nc1C
InChIInChI=1S/C14H24N4/c1-6-9(2)8-18(5)12-7-10(3)17-11(4)13(12)14(15)16/h7,9H,6,8H2,1-5H3,(H3,15,16)
InChIKeyZCMXQALZYGLQKJ-UHFFFAOYSA-N
XLogP2.46
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide (CID 81054324) is 2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1c(N(C)CC(C)CC)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide?
The InChIKey is ZCMXQALZYGLQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-6-9(2)8-18(5)12-7-10(3)17-11(4)13(12)14(15)16/h7,9H,6,8H2,1-5H3,(H3,15,16).
What are the key properties of 2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide?
2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide has a molecular weight of 248.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 81054324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).