1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine

C12H20N2 — CID 70248514

IUPAC1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine
SMILESCN1CCC2CC=C(N)C=C2C1(C)C
InChIInChI=1S/C12H20N2/c1-12(2)11-8-10(13)5-4-9(11)6-7-14(12)3/h5,8-9H,4,6-7,13H2,1-3H3
InChIKeyKTIQRZYJPVKGFI-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.89
Rot. Bonds

About 1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine

1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine (PubChem CID 70248514) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine.

Molecular Properties

Compound Name1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine
PubChem CID70248514
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine
SMILESCN1CCC2CC=C(N)C=C2C1(C)C
InChIInChI=1S/C12H20N2/c1-12(2)11-8-10(13)5-4-9(11)6-7-14(12)3/h5,8-9H,4,6-7,13H2,1-3H3
InChIKeyKTIQRZYJPVKGFI-UHFFFAOYSA-N
XLogP1.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine?
The IUPAC name of 1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine (CID 70248514) is 1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine.
What is the SMILES notation for 1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine?
The canonical SMILES for 1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine is CN1CCC2CC=C(N)C=C2C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine?
The InChIKey is KTIQRZYJPVKGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2)11-8-10(13)5-4-9(11)6-7-14(12)3/h5,8-9H,4,6-7,13H2,1-3H3.
What are the key properties of 1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine?
1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine has a molecular weight of 192.31 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine is sourced from PubChem (CID 70248514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).