ethane;4-methylisoquinolin-3-amine

C12H16N2 — CID 145004950

IUPACethane;4-methylisoquinolin-3-amine
SMILESCC.Cc1c(N)ncc2ccccc12
InChIInChI=1S/C10H10N2.C2H6/c1-7-9-5-3-2-4-8(9)6-12-10(7)11;1-2/h2-6H,1H3,(H2,11,12);1-2H3
InChIKeyLGJYOUDJPJQFPK-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.15
Rot. Bonds

About ethane;4-methylisoquinolin-3-amine

ethane;4-methylisoquinolin-3-amine (PubChem CID 145004950) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethane;4-methylisoquinolin-3-amine.

Molecular Properties

Compound Nameethane;4-methylisoquinolin-3-amine
PubChem CID145004950
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Nameethane;4-methylisoquinolin-3-amine
SMILESCC.Cc1c(N)ncc2ccccc12
InChIInChI=1S/C10H10N2.C2H6/c1-7-9-5-3-2-4-8(9)6-12-10(7)11;1-2/h2-6H,1H3,(H2,11,12);1-2H3
InChIKeyLGJYOUDJPJQFPK-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methylisoquinolin-3-amine?
The IUPAC name of ethane;4-methylisoquinolin-3-amine (CID 145004950) is ethane;4-methylisoquinolin-3-amine.
What is the SMILES notation for ethane;4-methylisoquinolin-3-amine?
The canonical SMILES for ethane;4-methylisoquinolin-3-amine is CC.Cc1c(N)ncc2ccccc12.
What is the InChIKey of ethane;4-methylisoquinolin-3-amine?
The InChIKey is LGJYOUDJPJQFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C2H6/c1-7-9-5-3-2-4-8(9)6-12-10(7)11;1-2/h2-6H,1H3,(H2,11,12);1-2H3.
What are the key properties of ethane;4-methylisoquinolin-3-amine?
ethane;4-methylisoquinolin-3-amine has a molecular weight of 188.27 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylisoquinolin-3-amine is sourced from PubChem (CID 145004950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).