ethane;isoquinolin-5-amine

C13H20N2 — CID 143675367

IUPACethane;isoquinolin-5-amine
SMILESCC.CC.Nc1cccc2cnccc12
InChIInChI=1S/C9H8N2.2C2H6/c10-9-3-1-2-7-6-11-5-4-8(7)9;2*1-2/h1-6H,10H2;2*1-2H3
InChIKeyWADLXJGRHANKSV-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.87
Rot. Bonds

About ethane;isoquinolin-5-amine

ethane;isoquinolin-5-amine (PubChem CID 143675367) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is ethane;isoquinolin-5-amine.

Molecular Properties

Compound Nameethane;isoquinolin-5-amine
PubChem CID143675367
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Nameethane;isoquinolin-5-amine
SMILESCC.CC.Nc1cccc2cnccc12
InChIInChI=1S/C9H8N2.2C2H6/c10-9-3-1-2-7-6-11-5-4-8(7)9;2*1-2/h1-6H,10H2;2*1-2H3
InChIKeyWADLXJGRHANKSV-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.87
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

CID 159683901
CID 159683901
1,3-dimethylimidazolidine;isoquinolin-5-amine
CID 142986059
butanedioic acid;isoquinolin-5-amine
CID 158729130
2-isoquinolin-5-ylaniline
CID 62812627
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
isoquinolin-5-ylboronic acid
CID 599474
3,8-phenanthroline
CID 13064691
2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
5-(2-methylpropan-2-yl)isoquinoline
CID 140752931
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine
CID 55011951

Frequently Asked Questions

What is the IUPAC name of ethane;isoquinolin-5-amine?
The IUPAC name of ethane;isoquinolin-5-amine (CID 143675367) is ethane;isoquinolin-5-amine.
What is the SMILES notation for ethane;isoquinolin-5-amine?
The canonical SMILES for ethane;isoquinolin-5-amine is CC.CC.Nc1cccc2cnccc12.
What is the InChIKey of ethane;isoquinolin-5-amine?
The InChIKey is WADLXJGRHANKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.2C2H6/c10-9-3-1-2-7-6-11-5-4-8(7)9;2*1-2/h1-6H,10H2;2*1-2H3.
What are the key properties of ethane;isoquinolin-5-amine?
ethane;isoquinolin-5-amine has a molecular weight of 204.32 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;isoquinolin-5-amine is sourced from PubChem (CID 143675367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).