3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane

C12H24N2 — CID 115313863

IUPAC3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane
SMILESCCCC(C)N1CCC2CCC(C1)N2
InChIInChI=1S/C12H24N2/c1-3-4-10(2)14-8-7-11-5-6-12(9-14)13-11/h10-13H,3-9H2,1-2H3
InChIKeyQJOKKZMROVSCDW-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds3

About 3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane

3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115313863) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115313863
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane
SMILESCCCC(C)N1CCC2CCC(C1)N2
InChIInChI=1S/C12H24N2/c1-3-4-10(2)14-8-7-11-5-6-12(9-14)13-11/h10-13H,3-9H2,1-2H3
InChIKeyQJOKKZMROVSCDW-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane (CID 115313863) is 3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane is CCCC(C)N1CCC2CCC(C1)N2.
What is the InChIKey of 3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is QJOKKZMROVSCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-4-10(2)14-8-7-11-5-6-12(9-14)13-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 196.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115313863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).