3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane

C14H27N3 — CID 82013066

IUPAC3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1C2CCC1CN(C1CNC(C)(C)C1)CC2
InChIInChI=1S/C14H27N3/c1-14(2)8-13(9-15-14)17-7-6-11-4-5-12(10-17)16(11)3/h11-13,15H,4-10H2,1-3H3
InChIKeySBEBFJYZCZWTPI-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.30
Rot. Bonds1

About 3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane

3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 82013066) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID82013066
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1C2CCC1CN(C1CNC(C)(C)C1)CC2
InChIInChI=1S/C14H27N3/c1-14(2)8-13(9-15-14)17-7-6-11-4-5-12(10-17)16(11)3/h11-13,15H,4-10H2,1-3H3
InChIKeySBEBFJYZCZWTPI-UHFFFAOYSA-N
XLogP1.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane (CID 82013066) is 3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane is CN1C2CCC1CN(C1CNC(C)(C)C1)CC2.
What is the InChIKey of 3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is SBEBFJYZCZWTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-14(2)8-13(9-15-14)17-7-6-11-4-5-12(10-17)16(11)3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 237.39 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethylpyrrolidin-3-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 82013066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).