(4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium

C8H16N+ — CID 163656719

IUPAC(4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium
SMILESCC1CC2C([NH3+])CC12C
InChIInChI=1S/C8H15N/c1-5-3-6-7(9)4-8(5,6)2/h5-7H,3-4,9H2,1-2H3/p+1
InChIKeyIQVSBRHHLKIQMF-UHFFFAOYSA-O
MW126.22 g/mol
LogP0.66
Rot. Bonds

About (4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium

(4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium (PubChem CID 163656719) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is (4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium.

Molecular Properties

Compound Name(4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium
PubChem CID163656719
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name(4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium
SMILESCC1CC2C([NH3+])CC12C
InChIInChI=1S/C8H15N/c1-5-3-6-7(9)4-8(5,6)2/h5-7H,3-4,9H2,1-2H3/p+1
InChIKeyIQVSBRHHLKIQMF-UHFFFAOYSA-O
XLogP0.66
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium?
The IUPAC name of (4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium (CID 163656719) is (4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium.
What is the SMILES notation for (4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium?
The canonical SMILES for (4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium is CC1CC2C([NH3+])CC12C.
What is the InChIKey of (4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium?
The InChIKey is IQVSBRHHLKIQMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N/c1-5-3-6-7(9)4-8(5,6)2/h5-7H,3-4,9H2,1-2H3/p+1.
What are the key properties of (4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium?
(4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium has a molecular weight of 126.22 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-2-bicyclo[2.2.0]hexanyl)azanium is sourced from PubChem (CID 163656719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).