4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide

C16H25N5 — CID 79166576

IUPAC4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H25N5/c1-10-8-11(2)19-16(14(10)15(17)18)21-7-6-12-4-5-13(9-21)20(12)3/h8,12-13H,4-7,9H2,1-3H3,(H3,17,18)
InChIKeyWOHDHOUKKMLWLK-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.66
Rot. Bonds2

About 4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide

4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide (PubChem CID 79166576) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide
PubChem CID79166576
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H25N5/c1-10-8-11(2)19-16(14(10)15(17)18)21-7-6-12-4-5-13(9-21)20(12)3/h8,12-13H,4-7,9H2,1-3H3,(H3,17,18)
InChIKeyWOHDHOUKKMLWLK-UHFFFAOYSA-N
XLogP1.66
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide?
The IUPAC name of 4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide (CID 79166576) is 4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide.
What is the SMILES notation for 4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide?
The canonical SMILES for 4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1N1CCC2CCC(C1)N2C.
What is the InChIKey of 4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide?
The InChIKey is WOHDHOUKKMLWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-10-8-11(2)19-16(14(10)15(17)18)21-7-6-12-4-5-13(9-21)20(12)3/h8,12-13H,4-7,9H2,1-3H3,(H3,17,18).
What are the key properties of 4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide?
4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide has a molecular weight of 287.41 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 79166576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).