7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

C15H25N3O — CID 79170538

IUPAC7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCN1C2CCC1CN(C(=O)C1CC3CCC1N3)CC2
InChIInChI=1S/C15H25N3O/c1-17-11-3-4-12(17)9-18(7-6-11)15(19)13-8-10-2-5-14(13)16-10/h10-14,16H,2-9H2,1H3
InChIKeyYJVHHRHAQLLZME-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.82
Rot. Bonds1

About 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 79170538) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID79170538
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCN1C2CCC1CN(C(=O)C1CC3CCC1N3)CC2
InChIInChI=1S/C15H25N3O/c1-17-11-3-4-12(17)9-18(7-6-11)15(19)13-8-10-2-5-14(13)16-10/h10-14,16H,2-9H2,1H3
InChIKeyYJVHHRHAQLLZME-UHFFFAOYSA-N
XLogP0.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone with MolForge

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Related Compounds

(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79384116
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 79170250
(2-amino-5-methylcyclohexyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79170649
(1S,6R)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 104962540
(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 95933340
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901253
7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465332
[(1S)-2,2-dichlorocyclopropyl]-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 129422315
2-chloro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)prop-2-en-1-one
CID 131002516
N,N,9-trimethyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667112
7-azabicyclo[2.2.1]heptan-2-yl-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459904

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 79170538) is 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is CN1C2CCC1CN(C(=O)C1CC3CCC1N3)CC2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is YJVHHRHAQLLZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-11-3-4-12(17)9-18(7-6-11)15(19)13-8-10-2-5-14(13)16-10/h10-14,16H,2-9H2,1H3.
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone has a molecular weight of 263.38 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 79170538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).