9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane

C17H34N2 — CID 177090994

IUPAC9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCN1CC2CN(C)CC(C1)C2(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H34N2/c1-15(2,3)17(16(4,5)6)13-9-18(7)10-14(17)12-19(8)11-13/h13-14H,9-12H2,1-8H3
InChIKeyXDRJCSMTXKCOON-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.19
Rot. Bonds

About 9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane

9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 177090994) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID177090994
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCN1CC2CN(C)CC(C1)C2(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H34N2/c1-15(2,3)17(16(4,5)6)13-9-18(7)10-14(17)12-19(8)11-13/h13-14H,9-12H2,1-8H3
InChIKeyXDRJCSMTXKCOON-UHFFFAOYSA-N
XLogP3.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3aR,6aS)-5-tert-butyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
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CID 90292242
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CID 59522762
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CID 155794049
(3R,4R)-1,3,4-trimethylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane (CID 177090994) is 9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane is CN1CC2CN(C)CC(C1)C2(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is XDRJCSMTXKCOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-15(2,3)17(16(4,5)6)13-9-18(7)10-14(17)12-19(8)11-13/h13-14H,9-12H2,1-8H3.
What are the key properties of 9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane?
9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 266.47 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-ditert-butyl-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 177090994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).