2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane

C19H34N2 — CID 139483144

IUPAC2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2CCCC(C1C1C(C)CC3CCC1N3C)N2C
InChIInChI=1S/C19H34N2/c1-12-10-14-6-5-7-16(20(14)3)18(12)19-13(2)11-15-8-9-17(19)21(15)4/h12-19H,5-11H2,1-4H3
InChIKeyPPRMXEWWCPMUDN-UHFFFAOYSA-N
MW290.49 g/mol
LogP3.61
Rot. Bonds1

About 2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane

2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane (PubChem CID 139483144) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane
PubChem CID139483144
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2CCCC(C1C1C(C)CC3CCC1N3C)N2C
InChIInChI=1S/C19H34N2/c1-12-10-14-6-5-7-16(20(14)3)18(12)19-13(2)11-15-8-9-17(19)21(15)4/h12-19H,5-11H2,1-4H3
InChIKeyPPRMXEWWCPMUDN-UHFFFAOYSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane (CID 139483144) is 2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane is CC1CC2CCCC(C1C1C(C)CC3CCC1N3C)N2C.
What is the InChIKey of 2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is PPRMXEWWCPMUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-12-10-14-6-5-7-16(20(14)3)18(12)19-13(2)11-15-8-9-17(19)21(15)4/h12-19H,5-11H2,1-4H3.
What are the key properties of 2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane?
2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 290.49 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,8-dimethyl-8-azabicyclo[3.2.1]octan-2-yl)-3,9-dimethyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 139483144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).