2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one

C15H30N2O — CID 122429240

IUPAC2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one
SMILESCC(C)C(=O)C1(N(C)C(C)C)CCN(C(C)C)C1
InChIInChI=1S/C15H30N2O/c1-11(2)14(18)15(16(7)12(3)4)8-9-17(10-15)13(5)6/h11-13H,8-10H2,1-7H3
InChIKeyPQTXEBYZSQWKQF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.40
Rot. Bonds5

About 2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one

2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one (PubChem CID 122429240) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one
PubChem CID122429240
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one
SMILESCC(C)C(=O)C1(N(C)C(C)C)CCN(C(C)C)C1
InChIInChI=1S/C15H30N2O/c1-11(2)14(18)15(16(7)12(3)4)8-9-17(10-15)13(5)6/h11-13H,8-10H2,1-7H3
InChIKeyPQTXEBYZSQWKQF-UHFFFAOYSA-N
XLogP2.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one (CID 122429240) is 2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one is CC(C)C(=O)C1(N(C)C(C)C)CCN(C(C)C)C1.
What is the InChIKey of 2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one?
The InChIKey is PQTXEBYZSQWKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(2)14(18)15(16(7)12(3)4)8-9-17(10-15)13(5)6/h11-13H,8-10H2,1-7H3.
What are the key properties of 2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one?
2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[methyl(propan-2-yl)amino]-1-propan-2-ylpyrrolidin-3-yl]propan-1-one is sourced from PubChem (CID 122429240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).