cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

C13H22N2O — CID 70207747

IUPACcyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCC(C)N1CC2CCC(C1)N2C(=O)C1CC1
InChIInChI=1S/C13H22N2O/c1-9(2)14-7-11-5-6-12(8-14)15(11)13(16)10-3-4-10/h9-12H,3-8H2,1-2H3
InChIKeyDLGGGNGIIQXLAZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.48
Rot. Bonds2

About cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 70207747) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID70207747
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Namecyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCC(C)N1CC2CCC(C1)N2C(=O)C1CC1
InChIInChI=1S/C13H22N2O/c1-9(2)14-7-11-5-6-12(8-14)15(11)13(16)10-3-4-10/h9-12H,3-8H2,1-2H3
InChIKeyDLGGGNGIIQXLAZ-UHFFFAOYSA-N
XLogP1.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 70207747) is cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is CC(C)N1CC2CCC(C1)N2C(=O)C1CC1.
What is the InChIKey of cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is DLGGGNGIIQXLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)14-7-11-5-6-12(8-14)15(11)13(16)10-3-4-10/h9-12H,3-8H2,1-2H3.
What are the key properties of cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 70207747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).