azane;3,8-dimethylisoquinoline

C11H14N2 — CID 175090064

IUPACazane;3,8-dimethylisoquinoline
SMILESCc1cc2cccc(C)c2cn1.N
InChIInChI=1S/C11H11N.H3N/c1-8-4-3-5-10-6-9(2)12-7-11(8)10;/h3-7H,1-2H3;1H3
InChIKeyCJGJUUKNXTTZEA-UHFFFAOYSA-N
MW174.25 g/mol
LogP3.01
Rot. Bonds

About azane;3,8-dimethylisoquinoline

azane;3,8-dimethylisoquinoline (PubChem CID 175090064) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is azane;3,8-dimethylisoquinoline.

Molecular Properties

Compound Nameazane;3,8-dimethylisoquinoline
PubChem CID175090064
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Nameazane;3,8-dimethylisoquinoline
SMILESCc1cc2cccc(C)c2cn1.N
InChIInChI=1S/C11H11N.H3N/c1-8-4-3-5-10-6-9(2)12-7-11(8)10;/h3-7H,1-2H3;1H3
InChIKeyCJGJUUKNXTTZEA-UHFFFAOYSA-N
XLogP3.01
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;3,8-dimethylisoquinoline?
The IUPAC name of azane;3,8-dimethylisoquinoline (CID 175090064) is azane;3,8-dimethylisoquinoline.
What is the SMILES notation for azane;3,8-dimethylisoquinoline?
The canonical SMILES for azane;3,8-dimethylisoquinoline is Cc1cc2cccc(C)c2cn1.N.
What is the InChIKey of azane;3,8-dimethylisoquinoline?
The InChIKey is CJGJUUKNXTTZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.H3N/c1-8-4-3-5-10-6-9(2)12-7-11(8)10;/h3-7H,1-2H3;1H3.
What are the key properties of azane;3,8-dimethylisoquinoline?
azane;3,8-dimethylisoquinoline has a molecular weight of 174.25 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,8-dimethylisoquinoline is sourced from PubChem (CID 175090064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).