6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride

C14H23ClN2O — CID 119635975

IUPAC6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1C2CCCC21)N1CCC2CCC(C1)N2
InChIInChI=1S/C14H22N2O.ClH/c17-14(13-11-2-1-3-12(11)13)16-7-6-9-4-5-10(8-16)15-9;/h9-13,15H,1-8H2;1H
InChIKeyKGTRJRUZJZNLMZ-UHFFFAOYSA-N
MW270.80 g/mol
LogP1.81
Rot. Bonds1

About 6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride

6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride (PubChem CID 119635975) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
PubChem CID119635975
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
SMILESCl.O=C(C1C2CCCC21)N1CCC2CCC(C1)N2
InChIInChI=1S/C14H22N2O.ClH/c17-14(13-11-2-1-3-12(11)13)16-7-6-9-4-5-10(8-16)15-9;/h9-13,15H,1-8H2;1H
InChIKeyKGTRJRUZJZNLMZ-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride with MolForge

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Related Compounds

2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81486334
6-bicyclo[3.1.0]hexanyl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995964
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 115313979
aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 130667355
1-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119639555
azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 79600645
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,2-dimethylcyclohexyl)methanone
CID 107181027
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2,2,2-trifluoroethanone
CID 81482887
(4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81486762
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride
CID 119635654
[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119485245
7-bicyclo[4.1.0]heptanyl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340532

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride (CID 119635975) is 6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride is Cl.O=C(C1C2CCCC21)N1CCC2CCC(C1)N2.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride?
The InChIKey is KGTRJRUZJZNLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c17-14(13-11-2-1-3-12(11)13)16-7-6-9-4-5-10(8-16)15-9;/h9-13,15H,1-8H2;1H.
What are the key properties of 6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride?
6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119635975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).