3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane

C12H24N2 — CID 131136747

IUPAC3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)(C)CN1CC2CCCC(C1)N2
InChIInChI=1S/C12H24N2/c1-12(2,3)9-14-7-10-5-4-6-11(8-14)13-10/h10-11,13H,4-9H2,1-3H3
InChIKeyNKEAMYXBGXPNIK-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane

3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane (PubChem CID 131136747) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane
PubChem CID131136747
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)(C)CN1CC2CCCC(C1)N2
InChIInChI=1S/C12H24N2/c1-12(2,3)9-14-7-10-5-4-6-11(8-14)13-10/h10-11,13H,4-9H2,1-3H3
InChIKeyNKEAMYXBGXPNIK-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane (CID 131136747) is 3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane is CC(C)(C)CN1CC2CCCC(C1)N2.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane?
The InChIKey is NKEAMYXBGXPNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2,3)9-14-7-10-5-4-6-11(8-14)13-10/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane?
3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane has a molecular weight of 196.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 131136747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).