N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine

C12H18N2 — CID 81215567

IUPACN-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCN(C)c1cccc2c1CCNC2
InChIInChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-9-13-8-7-11(10)12/h4-6,13H,3,7-9H2,1-2H3
InChIKeyMZPPRBORLAIRER-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.79
Rot. Bonds2

About N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine

N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 81215567) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID81215567
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCN(C)c1cccc2c1CCNC2
InChIInChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-9-13-8-7-11(10)12/h4-6,13H,3,7-9H2,1-2H3
InChIKeyMZPPRBORLAIRER-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 81215567) is N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine is CCN(C)c1cccc2c1CCNC2.
What is the InChIKey of N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is MZPPRBORLAIRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-14(2)12-6-4-5-10-9-13-8-7-11(10)12/h4-6,13H,3,7-9H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 190.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 81215567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).