1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine

C11H18N2 — CID 70154657

IUPAC1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine
SMILESCC1C2=CC(N)=CCC2CCN1C
InChIInChI=1S/C11H18N2/c1-8-11-7-10(12)4-3-9(11)5-6-13(8)2/h4,7-9H,3,5-6,12H2,1-2H3
InChIKeyLPFWKYJBTNBYON-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.50
Rot. Bonds

About 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine

1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine (PubChem CID 70154657) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine
PubChem CID70154657
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine
SMILESCC1C2=CC(N)=CCC2CCN1C
InChIInChI=1S/C11H18N2/c1-8-11-7-10(12)4-3-9(11)5-6-13(8)2/h4,7-9H,3,5-6,12H2,1-2H3
InChIKeyLPFWKYJBTNBYON-UHFFFAOYSA-N
XLogP1.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine?
The IUPAC name of 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine (CID 70154657) is 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine?
The canonical SMILES for 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine is CC1C2=CC(N)=CCC2CCN1C.
What is the InChIKey of 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine?
The InChIKey is LPFWKYJBTNBYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-11-7-10(12)4-3-9(11)5-6-13(8)2/h4,7-9H,3,5-6,12H2,1-2H3.
What are the key properties of 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine?
1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine has a molecular weight of 178.28 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 70154657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).