6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine

C11H16N2 — CID 112714469

IUPAC6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine
SMILESCC1(C)CCc2cnccc2C1N
InChIInChI=1S/C11H16N2/c1-11(2)5-3-8-7-13-6-4-9(8)10(11)12/h4,6-7,10H,3,5,12H2,1-2H3
InChIKeyBPGROVBOXRSSOK-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.05
Rot. Bonds

About 6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine

6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine (PubChem CID 112714469) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine.

Molecular Properties

Compound Name6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine
PubChem CID112714469
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine
SMILESCC1(C)CCc2cnccc2C1N
InChIInChI=1S/C11H16N2/c1-11(2)5-3-8-7-13-6-4-9(8)10(11)12/h4,6-7,10H,3,5,12H2,1-2H3
InChIKeyBPGROVBOXRSSOK-UHFFFAOYSA-N
XLogP2.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine?
The IUPAC name of 6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine (CID 112714469) is 6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine.
What is the SMILES notation for 6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine?
The canonical SMILES for 6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine is CC1(C)CCc2cnccc2C1N.
What is the InChIKey of 6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine?
The InChIKey is BPGROVBOXRSSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2)5-3-8-7-13-6-4-9(8)10(11)12/h4,6-7,10H,3,5,12H2,1-2H3.
What are the key properties of 6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine?
6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine has a molecular weight of 176.26 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine is sourced from PubChem (CID 112714469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).