N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine

C16H26N2 — CID 81214895

IUPACN-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCC(C)CN(CC)c1cccc2c1CCNC2
InChIInChI=1S/C16H26N2/c1-4-13(3)12-18(5-2)16-8-6-7-14-11-17-10-9-15(14)16/h6-8,13,17H,4-5,9-12H2,1-3H3
InChIKeyCYMXAJCPAZCDRT-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds5

About N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine

N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 81214895) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID81214895
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCC(C)CN(CC)c1cccc2c1CCNC2
InChIInChI=1S/C16H26N2/c1-4-13(3)12-18(5-2)16-8-6-7-14-11-17-10-9-15(14)16/h6-8,13,17H,4-5,9-12H2,1-3H3
InChIKeyCYMXAJCPAZCDRT-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 81214895) is N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is CCC(C)CN(CC)c1cccc2c1CCNC2.
What is the InChIKey of N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is CYMXAJCPAZCDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-13(3)12-18(5-2)16-8-6-7-14-11-17-10-9-15(14)16/h6-8,13,17H,4-5,9-12H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 81214895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).