[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone

C12H20N2O — CID 67130618

IUPAC[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1C[C@@H]2CN[C@@H](C2)C1
InChIInChI=1S/C12H20N2O/c1-12(2)4-10(12)11(15)14-6-8-3-9(7-14)13-5-8/h8-10,13H,3-7H2,1-2H3/t8-,9-,10?/m0/s1
InChIKeyUIKHJRILVIXRGK-XMCUXHSSSA-N
MW208.30 g/mol
LogP0.85
Rot. Bonds1

About [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone

[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone (PubChem CID 67130618) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone
PubChem CID67130618
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1C[C@@H]2CN[C@@H](C2)C1
InChIInChI=1S/C12H20N2O/c1-12(2)4-10(12)11(15)14-6-8-3-9(7-14)13-5-8/h8-10,13H,3-7H2,1-2H3/t8-,9-,10?/m0/s1
InChIKeyUIKHJRILVIXRGK-XMCUXHSSSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone (CID 67130618) is [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)N1C[C@@H]2CN[C@@H](C2)C1.
What is the InChIKey of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is UIKHJRILVIXRGK-XMCUXHSSSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2)4-10(12)11(15)14-6-8-3-9(7-14)13-5-8/h8-10,13H,3-7H2,1-2H3/t8-,9-,10?/m0/s1.
What are the key properties of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone?
[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 67130618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).