(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone

C12H20N2O — CID 69121814

IUPAC(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone
SMILESNC1C2CN(C(=O)C3CCCCC3)CC12
InChIInChI=1S/C12H20N2O/c13-11-9-6-14(7-10(9)11)12(15)8-4-2-1-3-5-8/h8-11H,1-7,13H2
InChIKeyIFKUQOUQXDKUFM-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.98
Rot. Bonds1

About (6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone

(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone (PubChem CID 69121814) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone.

Molecular Properties

Compound Name(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone
PubChem CID69121814
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone
SMILESNC1C2CN(C(=O)C3CCCCC3)CC12
InChIInChI=1S/C12H20N2O/c13-11-9-6-14(7-10(9)11)12(15)8-4-2-1-3-5-8/h8-11H,1-7,13H2
InChIKeyIFKUQOUQXDKUFM-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone
CID 124617878
[(3aR,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone
CID 124741239
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185224
1-(cyclopentanecarbonyl)azetidine-3-sulfonamide
CID 127799605
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
1-(cyclohexanecarbonyl)azetidine-3-carbonitrile
CID 174175540
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone?
The IUPAC name of (6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone (CID 69121814) is (6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone.
What is the SMILES notation for (6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone?
The canonical SMILES for (6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone is NC1C2CN(C(=O)C3CCCCC3)CC12.
What is the InChIKey of (6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone?
The InChIKey is IFKUQOUQXDKUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-11-9-6-14(7-10(9)11)12(15)8-4-2-1-3-5-8/h8-11H,1-7,13H2.
What are the key properties of (6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone?
(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone has a molecular weight of 208.30 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone is sourced from PubChem (CID 69121814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).