2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide

C17H27N3 — CID 65258381

IUPAC2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C17H27N3/c1-17(2,16(18)19)10-6-11-20-12-9-15(13-20)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H3,18,19)
InChIKeyWRDJVNMKRLRKHB-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.22
Rot. Bonds6

About 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide

2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide (PubChem CID 65258381) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide
PubChem CID65258381
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C17H27N3/c1-17(2,16(18)19)10-6-11-20-12-9-15(13-20)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H3,18,19)
InChIKeyWRDJVNMKRLRKHB-UHFFFAOYSA-N
XLogP3.22
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide (CID 65258381) is 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCC(c2ccccc2)C1.
What is the InChIKey of 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide?
The InChIKey is WRDJVNMKRLRKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-17(2,16(18)19)10-6-11-20-12-9-15(13-20)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H3,18,19).
What are the key properties of 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide?
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide has a molecular weight of 273.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide is sourced from PubChem (CID 65258381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).