2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane

C9H18N2 — CID 122534447

IUPAC2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2N(C)CC1C2(C)C
InChIInChI=1S/C9H18N2/c1-9(2)7-6-11(4)8(9)5-10(7)3/h7-8H,5-6H2,1-4H3
InChIKeyIIFDDECJODVENH-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.64
Rot. Bonds

About 2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane

2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 122534447) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID122534447
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2N(C)CC1C2(C)C
InChIInChI=1S/C9H18N2/c1-9(2)7-6-11(4)8(9)5-10(7)3/h7-8H,5-6H2,1-4H3
InChIKeyIIFDDECJODVENH-UHFFFAOYSA-N
XLogP0.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 121400498
1,3,4,4,5-pentamethylpiperidine
CID 18740724
ethane;1,2,4,5-tetramethylpiperazine
CID 164865311
N,1,4,4,5-pentamethylpyrrolidin-3-amine
CID 121402938
ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
CID 145040358
(2R)-1,2,4,4-tetramethylpyrrolidine
CID 93499502
(1S,2S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 146214552
3,7-dimethyl-3,6-diazatricyclo[3.2.1.02,7]octane
CID 123781299
(2S,5S)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 146214640
1,2,2,5-tetramethylpiperazine
CID 64846101
1,3-dimethyl-3-azabicyclo[3.1.1]heptane;ethane
CID 168882588
(2S)-4-fluoro-1,2,4-trimethylpyrrolidine
CID 90327705

Frequently Asked Questions

What is the IUPAC name of 2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane (CID 122534447) is 2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane is CN1CC2N(C)CC1C2(C)C.
What is the InChIKey of 2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is IIFDDECJODVENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2)7-6-11(4)8(9)5-10(7)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane?
2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 154.26 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 122534447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).