9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one

C14H24N2O — CID 167937397

IUPAC9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one
SMILESO=C1NCC2CCCC1N2CC1CCCCC1
InChIInChI=1S/C14H24N2O/c17-14-13-8-4-7-12(9-15-14)16(13)10-11-5-2-1-3-6-11/h11-13H,1-10H2,(H,15,17)
InChIKeyFNTPHUGCQDZTGZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.92
Rot. Bonds2

About 9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one

9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one (PubChem CID 167937397) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one.

Molecular Properties

Compound Name9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one
PubChem CID167937397
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one
SMILESO=C1NCC2CCCC1N2CC1CCCCC1
InChIInChI=1S/C14H24N2O/c17-14-13-8-4-7-12(9-15-14)16(13)10-11-5-2-1-3-6-11/h11-13H,1-10H2,(H,15,17)
InChIKeyFNTPHUGCQDZTGZ-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one?
The IUPAC name of 9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one (CID 167937397) is 9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one.
What is the SMILES notation for 9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one?
The canonical SMILES for 9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one is O=C1NCC2CCCC1N2CC1CCCCC1.
What is the InChIKey of 9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one?
The InChIKey is FNTPHUGCQDZTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c17-14-13-8-4-7-12(9-15-14)16(13)10-11-5-2-1-3-6-11/h11-13H,1-10H2,(H,15,17).
What are the key properties of 9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one?
9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one has a molecular weight of 236.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one is sourced from PubChem (CID 167937397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).