3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one

C15H26N2O — CID 54197523

IUPAC3-(cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCN1C2CC(=O)CC1CN(C2)CC3CCCCC3
InChIInChI=1S/C15H26N2O/c1-16-13-7-15(18)8-14(16)11-17(10-13)9-12-5-3-2-4-6-12/h12-14H,2-11H2,1H3
InChIKeyPMWVHKHVOOUWTG-UHFFFAOYSA-N
MW250.38 g/mol
LogP2.00
Rot. Bonds2

About 3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one

3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one (PubChem CID 54197523) has the molecular formula C15H26N2O and a molecular weight of 250.38 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one
PubChem CID54197523
Molecular FormulaC15H26N2O
Molecular Weight250.38 g/mol
Exact Mass250.20
IUPAC Name3-(cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one
SMILESCN1C2CC(=O)CC1CN(C2)CC3CCCCC3
InChIInChI=1S/C15H26N2O/c1-16-13-7-15(18)8-14(16)11-17(10-13)9-12-5-3-2-4-6-12/h12-14H,2-11H2,1H3
InChIKeyPMWVHKHVOOUWTG-UHFFFAOYSA-N
XLogP2.00
TPSA23.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity294

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,9-Dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 19786409
8-[(Dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one;hydrochloride
CID 22504473
8-[(Dimethylamino)methyl]-1-azabicyclo[3.3.1]nonan-4-one
CID 22504474
3,9-Diazabicyclo[3.3.1]nonan-7-one, 3-ethyl-9-methyl-
CID 45099835
2-[(Dipropylamino)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 53686199
2-[(Dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 53795112
9-Methyl-3-propyl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 54231950
9-Methyl-3-propan-2-yl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 54264465
9-Methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 54349876
6,9-Dimethyl-9-aza-3-azanidabicyclo[3.3.1]nonan-7-one;rubidium(1+)
CID 59793774
6,9-Dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 59793775
1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane
CID 142187811

Frequently Asked Questions

What is the IUPAC name of 3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The IUPAC name of 3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one (CID 54197523) is 3-(cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for 3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for 3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one is CN1C2CC(=O)CC1CN(C2)CC3CCCCC3.
What is the InChIKey of 3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
The InChIKey is PMWVHKHVOOUWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-16-13-7-15(18)8-14(16)11-17(10-13)9-12-5-3-2-4-6-12/h12-14H,2-11H2,1H3.
What are the key properties of 3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one?
3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one has a molecular weight of 250.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(Cyclohexylmethyl)-9-methyl-3,9-diazabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 54197523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).