4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide

C14H22N4 — CID 81465244

IUPAC4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)C(N(C)C)C2)cc1
InChIInChI=1S/C14H22N4/c1-10-8-18(9-13(10)17(2)3)12-6-4-11(5-7-12)14(15)16/h4-7,10,13H,8-9H2,1-3H3,(H3,15,16)
InChIKeyAEZPWLHCONJLGM-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.36
Rot. Bonds3

About 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide

4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide (PubChem CID 81465244) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide
PubChem CID81465244
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)C(N(C)C)C2)cc1
InChIInChI=1S/C14H22N4/c1-10-8-18(9-13(10)17(2)3)12-6-4-11(5-7-12)14(15)16/h4-7,10,13H,8-9H2,1-3H3,(H3,15,16)
InChIKeyAEZPWLHCONJLGM-UHFFFAOYSA-N
XLogP1.36
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.36
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-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide?
The IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide (CID 81465244) is 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(C)C(N(C)C)C2)cc1.
What is the InChIKey of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide?
The InChIKey is AEZPWLHCONJLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-8-18(9-13(10)17(2)3)12-6-4-11(5-7-12)14(15)16/h4-7,10,13H,8-9H2,1-3H3,(H3,15,16).
What are the key properties of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide?
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide has a molecular weight of 246.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 81465244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).