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

C17H33N — CID 58449983

IUPAC2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane
SMILESCC(C)C1CC2CCCC(C1C(C)C)N2C(C)C
InChIInChI=1S/C17H33N/c1-11(2)15-10-14-8-7-9-16(17(15)12(3)4)18(14)13(5)6/h11-17H,7-10H2,1-6H3
InChIKeyTZRMWWVZEHRHCD-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.57
Rot. Bonds3

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

2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane (PubChem CID 58449983) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane
PubChem CID58449983
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane
SMILESCC(C)C1CC2CCCC(C1C(C)C)N2C(C)C
InChIInChI=1S/C17H33N/c1-11(2)15-10-14-8-7-9-16(17(15)12(3)4)18(14)13(5)6/h11-17H,7-10H2,1-6H3
InChIKeyTZRMWWVZEHRHCD-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane (CID 58449983) is 2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane is CC(C)C1CC2CCCC(C1C(C)C)N2C(C)C.
What is the InChIKey of 2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane?
The InChIKey is TZRMWWVZEHRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-11(2)15-10-14-8-7-9-16(17(15)12(3)4)18(14)13(5)6/h11-17H,7-10H2,1-6H3.
What are the key properties of 2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane?
2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane has a molecular weight of 251.46 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 58449983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).