6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide

C11H18N4 — CID 64596128

IUPAC6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)C(C)CC)n1
InChIInChI=1S/C11H18N4/c1-4-8(2)15(3)10-7-5-6-9(14-10)11(12)13/h5-8H,4H2,1-3H3,(H3,12,13)
InChIKeyIKPITAUJTRKHKE-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.60
Rot. Bonds4

About 6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide

6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide (PubChem CID 64596128) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide
PubChem CID64596128
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)C(C)CC)n1
InChIInChI=1S/C11H18N4/c1-4-8(2)15(3)10-7-5-6-9(14-10)11(12)13/h5-8H,4H2,1-3H3,(H3,12,13)
InChIKeyIKPITAUJTRKHKE-UHFFFAOYSA-N
XLogP1.60
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.60
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 6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide?
The IUPAC name of 6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide (CID 64596128) is 6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for 6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide?
The canonical SMILES for 6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(N(C)C(C)CC)n1.
What is the InChIKey of 6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide?
The InChIKey is IKPITAUJTRKHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-4-8(2)15(3)10-7-5-6-9(14-10)11(12)13/h5-8H,4H2,1-3H3,(H3,12,13).
What are the key properties of 6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide?
6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide has a molecular weight of 206.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 64596128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).