7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane

C13H26N2 — CID 121400498

IUPAC7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2N(C(C)C)CC1C2(C)C
InChIInChI=1S/C13H26N2/c1-9(2)14-7-12-13(5,6)11(14)8-15(12)10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyWOSRZLLGHIHWLO-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.20
Rot. Bonds2

About 7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane

7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 121400498) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID121400498
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2N(C(C)C)CC1C2(C)C
InChIInChI=1S/C13H26N2/c1-9(2)14-7-12-13(5,6)11(14)8-15(12)10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyWOSRZLLGHIHWLO-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
CID 105442285
(1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane
CID 170300237
2-fluoro-1-propan-2-ylaziridine
CID 166046401
2,5,7,7-tetramethyl-2,5-diazabicyclo[2.2.1]heptane
CID 122534447
6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane
CID 169193368
3,4,4,5-tetramethyl-1-propan-2-ylpiperidine
CID 121288182
ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane
CID 171508934
(2R)-2-ethyl-1-propan-2-ylaziridine
CID 59459524
6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine
CID 134434650
(3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol
CID 45096023
(3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol
CID 99134697
1-(1-propan-2-ylaziridin-2-yl)ethanone
CID 160809757

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 121400498) is 7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1CC2N(C(C)C)CC1C2(C)C.
What is the InChIKey of 7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is WOSRZLLGHIHWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-9(2)14-7-12-13(5,6)11(14)8-15(12)10(3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of 7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 210.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 121400498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).