2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide

C15H28N4O — CID 69415866

IUPAC2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide
SMILESCCCN1CCC(C#N)(NC(=O)C(N)CC(C)(C)C)C1
InChIInChI=1S/C15H28N4O/c1-5-7-19-8-6-15(10-16,11-19)18-13(20)12(17)9-14(2,3)4/h12H,5-9,11,17H2,1-4H3,(H,18,20)
InChIKeySMPOBHPXORJUQI-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.24
Rot. Bonds5

About 2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide

2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide (PubChem CID 69415866) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide
PubChem CID69415866
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide
SMILESCCCN1CCC(C#N)(NC(=O)C(N)CC(C)(C)C)C1
InChIInChI=1S/C15H28N4O/c1-5-7-19-8-6-15(10-16,11-19)18-13(20)12(17)9-14(2,3)4/h12H,5-9,11,17H2,1-4H3,(H,18,20)
InChIKeySMPOBHPXORJUQI-UHFFFAOYSA-N
XLogP1.24
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide?
The IUPAC name of 2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide (CID 69415866) is 2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide is CCCN1CCC(C#N)(NC(=O)C(N)CC(C)(C)C)C1.
What is the InChIKey of 2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide?
The InChIKey is SMPOBHPXORJUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-7-19-8-6-15(10-16,11-19)18-13(20)12(17)9-14(2,3)4/h12H,5-9,11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide?
2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide has a molecular weight of 280.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyano-1-propylpyrrolidin-3-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 69415866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).