3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide

C15H23N3 — CID 79188347

IUPAC3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN1CC(C)C(C)C1)c1ccccc1
InChIInChI=1S/C15H23N3/c1-11-8-18(9-12(11)2)10-14(15(16)17)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H3,16,17)
InChIKeyBHWNROLBCCIGGB-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.29
Rot. Bonds4

About 3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide

3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide (PubChem CID 79188347) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide
PubChem CID79188347
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN1CC(C)C(C)C1)c1ccccc1
InChIInChI=1S/C15H23N3/c1-11-8-18(9-12(11)2)10-14(15(16)17)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H3,16,17)
InChIKeyBHWNROLBCCIGGB-UHFFFAOYSA-N
XLogP2.29
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.29
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

3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide
CID 64536264
3-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylpropanimidamide
CID 64538720
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropanimidamide
CID 79928340
methyl 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-phenylpropanoate
CID 81452459
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-2-phenylpropanimidamide
CID 77043553
2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370781
3-tert-butylsulfanyl-2-phenylpropanimidamide
CID 64536103
3-(4-iodopyrazol-1-yl)-2-phenylpropanimidamide
CID 64538321
2-phenyl-3-(2-propylimidazol-1-yl)propanimidamide
CID 64538119
3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 64536474
3-(1-methylpyrazol-4-yl)sulfanyl-2-phenylpropanimidamide
CID 64535906
N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide
CID 102958325

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide?
The IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide (CID 79188347) is 3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide?
The canonical SMILES for 3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide is [H]/N=C(\N)C(CN1CC(C)C(C)C1)c1ccccc1.
What is the InChIKey of 3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide?
The InChIKey is BHWNROLBCCIGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11-8-18(9-12(11)2)10-14(15(16)17)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H3,16,17).
What are the key properties of 3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide?
3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide has a molecular weight of 245.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidin-1-yl)-2-phenylpropanimidamide is sourced from PubChem (CID 79188347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).