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

C11H24N4 — CID 81463630

IUPAC3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C11H24N4/c1-8-6-15(7-10(8)14(3)4)9(2)5-11(12)13/h8-10H,5-7H2,1-4H3,(H3,12,13)
InChIKeyWRPDIEOAPXFBHM-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.58
Rot. Bonds4

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

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide (PubChem CID 81463630) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide
PubChem CID81463630
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C11H24N4/c1-8-6-15(7-10(8)14(3)4)9(2)5-11(12)13/h8-10H,5-7H2,1-4H3,(H3,12,13)
InChIKeyWRPDIEOAPXFBHM-UHFFFAOYSA-N
XLogP0.58
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.58
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 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide?
The IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide (CID 81463630) is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide.
What is the SMILES notation for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide?
The canonical SMILES for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide is [H]/N=C(\N)CC(C)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide?
The InChIKey is WRPDIEOAPXFBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-8-6-15(7-10(8)14(3)4)9(2)5-11(12)13/h8-10H,5-7H2,1-4H3,(H3,12,13).
What are the key properties of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide?
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide has a molecular weight of 212.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butanimidamide is sourced from PubChem (CID 81463630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).