4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide

C12H18N4 — CID 61175006

IUPAC4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N1CCCC1
InChIInChI=1S/C12H18N4/c1-8-7-9(2)15-12(10(8)11(13)14)16-5-3-4-6-16/h7H,3-6H2,1-2H3,(H3,13,14)
InChIKeyFBWZNBIJIIPLQY-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.58
Rot. Bonds2

About 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide

4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide (PubChem CID 61175006) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide
PubChem CID61175006
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N1CCCC1
InChIInChI=1S/C12H18N4/c1-8-7-9(2)15-12(10(8)11(13)14)16-5-3-4-6-16/h7H,3-6H2,1-2H3,(H3,13,14)
InChIKeyFBWZNBIJIIPLQY-UHFFFAOYSA-N
XLogP1.58
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.58
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 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide?
The IUPAC name of 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide (CID 61175006) is 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide.
What is the SMILES notation for 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide?
The canonical SMILES for 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1N1CCCC1.
What is the InChIKey of 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide?
The InChIKey is FBWZNBIJIIPLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-7-9(2)15-12(10(8)11(13)14)16-5-3-4-6-16/h7H,3-6H2,1-2H3,(H3,13,14).
What are the key properties of 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide?
4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide has a molecular weight of 218.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide is sourced from PubChem (CID 61175006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).