3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane

C12H23N3 — CID 115313910

IUPAC3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1CCC(N2CCC3CCC(C2)N3)C1
InChIInChI=1S/C12H23N3/c1-14-6-5-12(9-14)15-7-4-10-2-3-11(8-15)13-10/h10-13H,2-9H2,1H3
InChIKeyFAEGRMCVWUKUNB-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.52
Rot. Bonds1

About 3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane

3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115313910) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115313910
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1CCC(N2CCC3CCC(C2)N3)C1
InChIInChI=1S/C12H23N3/c1-14-6-5-12(9-14)15-7-4-10-2-3-11(8-15)13-10/h10-13H,2-9H2,1H3
InChIKeyFAEGRMCVWUKUNB-UHFFFAOYSA-N
XLogP0.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane
CID 115313678
3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313832
3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 113284769
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
CID 94910735
3-(1-propan-2-ylazepan-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313913
4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 126993329
2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155218522
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 83262147
1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
CID 167091081
3-(3-ethylazetidin-1-yl)-1-methylpyrrolidine
CID 164846501
3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane
CID 166046474
3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
CID 107429445

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane (CID 115313910) is 3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane is CN1CCC(N2CCC3CCC(C2)N3)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is FAEGRMCVWUKUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-14-6-5-12(9-14)15-7-4-10-2-3-11(8-15)13-10/h10-13H,2-9H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane?
3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 209.34 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115313910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).