ethane;isoquinolin-6-amine

C11H14N2 — CID 143931414

IUPACethane;isoquinolin-6-amine
SMILESCC.Nc1ccc2cnccc2c1
InChIInChI=1S/C9H8N2.C2H6/c10-9-2-1-8-6-11-4-3-7(8)5-9;1-2/h1-6H,10H2;1-2H3
InChIKeyHZOYQOXEMOLPAW-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.84
Rot. Bonds

About ethane;isoquinolin-6-amine

ethane;isoquinolin-6-amine (PubChem CID 143931414) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is ethane;isoquinolin-6-amine.

Molecular Properties

Compound Nameethane;isoquinolin-6-amine
PubChem CID143931414
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Nameethane;isoquinolin-6-amine
SMILESCC.Nc1ccc2cnccc2c1
InChIInChI=1S/C9H8N2.C2H6/c10-9-2-1-8-6-11-4-3-7(8)5-9;1-2/h1-6H,10H2;1-2H3
InChIKeyHZOYQOXEMOLPAW-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzo[f]isoquinolin-8-amine
CID 101109295
ethane;6-methylisoquinoline
CID 145106291
isoquinolin-7-amine;7-nitroisoquinoline
CID 23211043
ethane;naphthalen-2-amine
CID 70389802
ethane;isoquinoline;hydroiodide
CID 153349858
2-isoquinolin-6-ylpropan-1-amine
CID 117280533
6-(2-bromoethyl)isoquinoline
CID 130757388
2-isoquinolin-6-ylpropan-2-ol
CID 117280841
6-naphthalen-2-ylisoquinoline
CID 59724414
3,8-phenanthroline
CID 13064691
6-[2-(3,5-dimethylphenyl)propan-2-yl]isoquinoline
CID 174233418
isoquinoline-6-carboxamide;hydrochloride
CID 143697890

Frequently Asked Questions

What is the IUPAC name of ethane;isoquinolin-6-amine?
The IUPAC name of ethane;isoquinolin-6-amine (CID 143931414) is ethane;isoquinolin-6-amine.
What is the SMILES notation for ethane;isoquinolin-6-amine?
The canonical SMILES for ethane;isoquinolin-6-amine is CC.Nc1ccc2cnccc2c1.
What is the InChIKey of ethane;isoquinolin-6-amine?
The InChIKey is HZOYQOXEMOLPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C2H6/c10-9-2-1-8-6-11-4-3-7(8)5-9;1-2/h1-6H,10H2;1-2H3.
What are the key properties of ethane;isoquinolin-6-amine?
ethane;isoquinolin-6-amine has a molecular weight of 174.25 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;isoquinolin-6-amine is sourced from PubChem (CID 143931414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).