2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride

C13H27Cl2N3O — CID 119864844

IUPAC2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride
SMILESCCCC(C)(N)C(=O)NC1CCN(C2CC2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-3-7-13(2,14)12(17)15-10-6-8-16(9-10)11-4-5-11;;/h10-11H,3-9,14H2,1-2H3,(H,15,17);2*1H
InChIKeyTZQUQOBRJJXQIY-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.70
Rot. Bonds5

About 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride

2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride (PubChem CID 119864844) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride
PubChem CID119864844
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride
SMILESCCCC(C)(N)C(=O)NC1CCN(C2CC2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-3-7-13(2,14)12(17)15-10-6-8-16(9-10)11-4-5-11;;/h10-11H,3-9,14H2,1-2H3,(H,15,17);2*1H
InChIKeyTZQUQOBRJJXQIY-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride (CID 119864844) is 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride is CCCC(C)(N)C(=O)NC1CCN(C2CC2)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride?
The InChIKey is TZQUQOBRJJXQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-3-7-13(2,14)12(17)15-10-6-8-16(9-10)11-4-5-11;;/h10-11H,3-9,14H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride?
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride is sourced from PubChem (CID 119864844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).