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

C14H24N2O — CID 67130631

IUPAC[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2C[C@@H]3CN[C@@H](C3)C2)C1(C)C
InChIInChI=1S/C14H24N2O/c1-13(2)11(14(13,3)4)12(17)16-7-9-5-10(8-16)15-6-9/h9-11,15H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyKFSKPULMXRZFIW-UWVGGRQHSA-N
MW236.36 g/mol
LogP1.49
Rot. Bonds1

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

[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 67130631) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID67130631
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2C[C@@H]3CN[C@@H](C3)C2)C1(C)C
InChIInChI=1S/C14H24N2O/c1-13(2)11(14(13,3)4)12(17)16-7-9-5-10(8-16)15-6-9/h9-11,15H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyKFSKPULMXRZFIW-UWVGGRQHSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.49
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]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 67130631) is [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)N2C[C@@H]3CN[C@@H](C3)C2)C1(C)C.
What is the InChIKey of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is KFSKPULMXRZFIW-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2)11(14(13,3)4)12(17)16-7-9-5-10(8-16)15-6-9/h9-11,15H,5-8H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of [(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 236.36 g/mol, XLogP of 1.49, 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]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 67130631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).