7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine

C10H18N2O2-2 — CID 163482879

IUPAC7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine
SMILESCN([O-])C1C2CCCCC2C1N(C)[O-]
InChIInChI=1S/C10H18N2O2/c1-11(13)9-7-5-3-4-6-8(7)10(9)12(2)14/h7-10H,3-6H2,1-2H3/q-2
InChIKeyAZACAZFJZSLITE-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.40
Rot. Bonds2

About 7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine

7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine (PubChem CID 163482879) has the molecular formula C10H18N2O2-2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine.

Molecular Properties

Compound Name7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine
PubChem CID163482879
Molecular FormulaC10H18N2O2-2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine
SMILESCN([O-])C1C2CCCCC2C1N(C)[O-]
InChIInChI=1S/C10H18N2O2/c1-11(13)9-7-5-3-4-6-8(7)10(9)12(2)14/h7-10H,3-6H2,1-2H3/q-2
InChIKeyAZACAZFJZSLITE-UHFFFAOYSA-N
XLogP1.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,4R)-N,N-dimethylbicyclo[2.1.0]pentan-5-amine
CID 130806116
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
7,8-dimethylbicyclo[4.2.0]octane;ethane
CID 158084419
1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine
CID 163645688
(1R,8R)-9-methylbicyclo[6.1.0]nonane
CID 12870202
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
tricyclo[5.4.0.08,11]undecane
CID 176586412
tricyclo[5.5.0.02,6]dodecane
CID 578151
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772
N-cyclopropyl-N-methylcyclooctanamine
CID 67119180

Frequently Asked Questions

What is the IUPAC name of 7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine?
The IUPAC name of 7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine (CID 163482879) is 7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine.
What is the SMILES notation for 7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine?
The canonical SMILES for 7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine is CN([O-])C1C2CCCCC2C1N(C)[O-].
What is the InChIKey of 7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine?
The InChIKey is AZACAZFJZSLITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11(13)9-7-5-3-4-6-8(7)10(9)12(2)14/h7-10H,3-6H2,1-2H3/q-2.
What are the key properties of 7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine?
7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine has a molecular weight of 198.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine is sourced from PubChem (CID 163482879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).