4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide

C14H22N4 — CID 81052131

IUPAC4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCC(C)(C)C2)cc(C)nc1C
InChIInChI=1S/C14H22N4/c1-9-7-11(12(13(15)16)10(2)17-9)18-6-5-14(3,4)8-18/h7H,5-6,8H2,1-4H3,(H3,15,16)
InChIKeyXHJLVBVROYQIEC-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.22
Rot. Bonds2

About 4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide

4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81052131) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81052131
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCC(C)(C)C2)cc(C)nc1C
InChIInChI=1S/C14H22N4/c1-9-7-11(12(13(15)16)10(2)17-9)18-6-5-14(3,4)8-18/h7H,5-6,8H2,1-4H3,(H3,15,16)
InChIKeyXHJLVBVROYQIEC-UHFFFAOYSA-N
XLogP2.22
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.22
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 4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide (CID 81052131) is 4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(N2CCC(C)(C)C2)cc(C)nc1C.
What is the InChIKey of 4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is XHJLVBVROYQIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-9-7-11(12(13(15)16)10(2)17-9)18-6-5-14(3,4)8-18/h7H,5-6,8H2,1-4H3,(H3,15,16).
What are the key properties of 4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide?
4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81052131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).