(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone

C14H25N3O — CID 79170250

IUPAC(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C14H25N3O/c1-10-7-15-8-13(10)14(18)17-6-5-11-3-4-12(9-17)16(11)2/h10-13,15H,3-9H2,1-2H3
InChIKeyYQXLFTHAWKXLNU-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.54
Rot. Bonds1

About (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone

(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 79170250) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone
PubChem CID79170250
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C14H25N3O/c1-10-7-15-8-13(10)14(18)17-6-5-11-3-4-12(9-17)16(11)2/h10-13,15H,3-9H2,1-2H3
InChIKeyYQXLFTHAWKXLNU-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone (CID 79170250) is (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone is CC1CNCC1C(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is YQXLFTHAWKXLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-7-15-8-13(10)14(18)17-6-5-11-3-4-12(9-17)16(11)2/h10-13,15H,3-9H2,1-2H3.
What are the key properties of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone?
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 251.37 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 79170250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).