3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane

C14H27N — CID 59450933

IUPAC3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane
SMILESCC(C)C1CC2CCCC(C1)N2C(C)C
InChIInChI=1S/C14H27N/c1-10(2)12-8-13-6-5-7-14(9-12)15(13)11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyAFZYDFQPSBYLCU-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.68
Rot. Bonds2

About 3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane

3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane (PubChem CID 59450933) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane
PubChem CID59450933
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane
SMILESCC(C)C1CC2CCCC(C1)N2C(C)C
InChIInChI=1S/C14H27N/c1-10(2)12-8-13-6-5-7-14(9-12)15(13)11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyAFZYDFQPSBYLCU-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane (CID 59450933) is 3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane is CC(C)C1CC2CCCC(C1)N2C(C)C.
What is the InChIKey of 3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane?
The InChIKey is AFZYDFQPSBYLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10(2)12-8-13-6-5-7-14(9-12)15(13)11(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of 3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane?
3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane has a molecular weight of 209.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-di(propan-2-yl)-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 59450933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).