2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide

C16H25N3 — CID 65252705

IUPAC2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCC(c2ccccc2)C1
InChIInChI=1S/C16H25N3/c1-16(2,15(17)18)9-11-19-10-8-14(12-19)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H3,17,18)
InChIKeyURTACPWUHPJVHK-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.83
Rot. Bonds5

About 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide

2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide (PubChem CID 65252705) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide
PubChem CID65252705
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCC(c2ccccc2)C1
InChIInChI=1S/C16H25N3/c1-16(2,15(17)18)9-11-19-10-8-14(12-19)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H3,17,18)
InChIKeyURTACPWUHPJVHK-UHFFFAOYSA-N
XLogP2.83
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide
CID 65258381
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanethioamide
CID 65248920
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 65247484
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244
2-methyl-2-(methylamino)-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131245
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
CID 65254158
3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62559929
2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
4-[(3-phenylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 62133576
2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile
CID 62132130
2-methyl-4-(3-phenylpyrrolidin-1-yl)-2-(propylamino)butanenitrile
CID 62131420

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide?
The IUPAC name of 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide (CID 65252705) is 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCC(c2ccccc2)C1.
What is the InChIKey of 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide?
The InChIKey is URTACPWUHPJVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-16(2,15(17)18)9-11-19-10-8-14(12-19)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H3,17,18).
What are the key properties of 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide?
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide has a molecular weight of 259.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide is sourced from PubChem (CID 65252705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).